SIGMA-ALDRICH
Material Safety Data Sheet
Date Printed: 20/FEB/2005
Date Updated: 14/JUL/2004
Version 1.8
According to 91/155/EEC
Classified as Hazardous according to the criteria of EU Annex 1 and
NOHSC.
1 - Product and Company Information
Product Name CAFFEINE SIGMA ALDRICH ULTRA
Product Number C8960
Company Sigma-Aldrich Pty, Ltd
Unit 2, 14 Anella Avenue
Castle Hill NSW 1765
Australia
Technical Phone # +61 2 9841 0555
Fax +61 2 9841 0500
Emergency Phone # +61 2 9841 0566
2 - Composition/Information on Ingredients
Product Name CAS # EC no Annex I
Index Number
CAFFEINE FREE BASE 58-08-2 200-362-1 613-086-00-5
Formula C8H10N4O2
Molecular Weight 194.19 AMU
Synonyms Anhydrous caffeine * Caffein * Caffeina
(Italian) * Coffein (German) * Coffeine *
Coffeinum *
3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
* Eldiatric C * Guaranine * Kofein (Czech) *
Koffein (German) * Methyltheobromide *
NCI-C02733 * NO-Doz * Organex *
1H-Purine-2,6-dione,
3,7-dihydro-1,3,7-trimethyl- * Thein * Theine *
Theobromine, 1-methyl- * Theophylline, 7-methyl
* 1,3,7-Trimethyl-2,6-dioxopurine *
1,3,7-Trimethylxanthine * Xanthine,
1,3,7-trimethyl
3 - Hazards Identification
SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Harmful if swallowed.
4 - First Aid Measures
AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER SKIN CONTACT
In case of skin contact, flush with copious amounts of water for
at least 15 minutes. Remove contaminated clothing and shoes.
Call a physician.
AFTER EYE CONTACT
In case of contact with eyes, flush with copious amounts of
water for at least 15 minutes. Assure adequate flushing by
separating the eyelids with fingers. Call a physician.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
5 - Fire Fighting Measures
EXTINGUISHING MEDIA
Suitable: Carbon dioxide.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.
6 - Accidental Release Measures
PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
Evacuate area.
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear self-contained breathing apparatus, rubber boots, and heavy
rubber gloves.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.
7 - Handling and Storage
HANDLING
Directions for Safe Handling: Do not breathe dust. Avoid contact
with eyes, skin, and clothing. Avoid prolonged or repeated
exposure.
STORAGE
Conditions of Storage: Keep tightly closed.
8 - Exposure Controls / Personal Protection
ENGINEERING CONTROLS
Mechanical exhaust required. Safety shower and eye bath.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Government approved respirator.
Hand Protection: Compatible chemical-resistant gloves.
Eye Protection: Chemical safety goggles.
9 - Physical and Chemical Properties
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Appearance Physical State: Solid
Color: White
Property Value At Temperature or Pressure
pH 5.5 - 6.5 20 掳C Concentration: 10
g/l
BP/BP Range N/A
MP/MP Range 232 掳C
Flash Point N/A
Flammability N/A
Autoignition Temp 540 掳C
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure 15 mmHg 89 掳C
SG/Density 1.23 g/cm3
Partition Coefficient Log Kow: -0.07
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density 220 kg/l
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility Solubility in Water:Slightly.
Other Solvents: PYRIDINE, ETHYL ACETATE
10 - Stability and Reactivity
STABILITY
Stable: Stable.
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur
11 - Toxicological Information
RTECS NUMBER: EV6475000
ACUTE TOXICITY
LDLO
Oral
Woman
400 mg/kg
Remarks: Behavioral:Convulsions or effect on seizure threshold.
Cardiac:Other changes. Skin and Appendages: Other: Sweating.
LDLO
Oral
Human
192 mg/kg
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LDLO
Oral
Child
320 mg/kg
Remarks: Behavioral:Convulsions or effect on seizure threshold.
Lungs, Thorax, or Respiration:Cyanosis.
LDLO
Oral
Woman
1000 mg/kg
Remarks: Gastrointestinal:Nausea or vomiting.
LDLO
Intravenous
Woman
57 MG/KG
Remarks: Behavioral:Convulsions or effect on seizure threshold.
Vascular:BP elevation not charactertized in autonomic section.
LD50
Oral
Rat
192 mg/kg
Remarks: Brain and Coverings:Other degenerative changes.
Behavioral:Withdrawal. Kidney, Ureter, Bladder:Interstitial
nephritis.
LD50
Intraperitoneal
Rat
240 MG/KG
LD50
Subcutaneous
Rat
170 MG/KG
LD50
Intravenous
Rat
105 MG/KG
Remarks: Lungs, Thorax, or Respiration:Acute pulmonary edema.
Kidney, Ureter, Bladder:Structural or functional changes in
ureter.
LD50
Rectal
Rat
300 MG/KG
LD50
Oral
Mouse
127 mg/kg
Remarks: Gastrointestinal:Hypermotility, diarrhea.
LD50
Intraperitoneal
Mouse
168 MG/KG
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Remarks: Behavioral:Change in motor activity (specific assay).
Behavioral:Aggression. Kidney, Ureter, Bladder:Urine volume
increased.
LD50
Subcutaneous
Mouse
242 MG/KG
LD50
Intravenous
Mouse
62 MG/KG
Remarks: Behavioral:Convulsions or effect on seizure threshold.
Lungs, Thorax, or Respiration:Dyspnea.
LD50
Oral
Dog
140 mg/kg
LD50
Subcutaneous
Dog
100 MG/KG
LD50
Oral
Rabbit
224 mg/kg
Remarks: Gastrointestinal:Hypermotility, diarrhea.
LD50
Intravenous
Rabbit
58 MG/KG
LD50
Oral
Guinea pig
230 mg/kg
Remarks: Behavioral:Convulsions or effect on seizure threshold.
Lungs, Thorax, or Respiration:Respiratory depression.
LD50
Oral
Hamster
230 mg/kg
Remarks: Gastrointestinal:Hypermotility, diarrhea.
LD50
Oral
Bird (wild)
316 mg/kg
SIGNS AND SYMPTOMS OF EXPOSURE
Overexposure by ingestion may result in nervousness, tremors,
and insomnia. Headache, dizziness, drowsiness, incoordination,
slowed reaction time, slurred speech, giddiness and
unconsciousness. Lethargy and convulsions. Nausea, vomiting,
diarrhea. Neurotoxic effects. Ataxia. CNS stimulation.
Convulsions. Prolonged or repeated exposure can lead to
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habituation or addiction. To the best of our knowledge, the
chemical, physical, and toxicological properties have not been
thoroughly investigated.
ROUTE OF EXPOSURE
Skin Contact: May cause skin irritation.
Skin Absorption: May be harmful if absorbed through the skin.
Eye Contact: May cause eye irritation.
Inhalation: May be harmful if inhaled. Material may be
irritating to mucous membranes and upper respiratory tract.
Ingestion: Harmful if swallowed.
TARGET ORGAN INFORMATION
Central nervous system. Heart.
CHRONIC EXPOSURE - CARCINOGEN
Result: This product is or contains a component that is not
classifiable as to its carcinogenicity based on its IARC, ACGIH,
NTP, or EPA classification.
Mouse
Route of Application: Oral
Exposure Time: 44W
Result: Tumorigenic:Carcinogenic by RTECS criteria. Skin and
Appendages: Other: Tumors. Tumorigenic:Increased incidence of
tumors in susceptible strains.
IARC CARCINOGEN LIST
Rating: Group 3
CHRONIC EXPOSURE - MUTAGEN
Result: Laboratory experiments have shown mutagenic effects.
Human
750 UMOL/L
Cell Type: fibroblast
DNA repair
Human
1 MMOL/L
Cell Type: Other cell types
Unscheduled DNA synthesis
Human
1 MMOL/L
Cell Type: HeLa cell
DNA inhibition
Human
4 MMOL/L
Cell Type: Other cell types
DNA inhibition
Human
1 MMOL/L
Cell Type: lymphocyte
Other mutation test systems
Human
100 MG/L
Cell Type: leukocyte
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Cytogenetic analysis
Human
2600 UMOL/L
24H
Cell Type: fibroblast
Cytogenetic analysis
Human
100 UG/L
24H
Cell Type: lymphocyte
Cytogenetic analysis
Human
50 PPM
24H
Cell Type: Embryo
Cytogenetic analysis
Human
500 MG/L
Cell Type: HeLa cell
Cytogenetic analysis
Human
1 MMOL/L
Cell Type: lymphocyte
Sister chromatid exchange
Rat
10 MMOL/L
Cell Type: kidney
Micronucleus test
Rat
320 UG/PLATE
Cell Type: Embryo
Morphological transformation.
Rat
200 UMOL/L
Cell Type: Other cell types
DNA inhibition
Mouse
7 MMOL/L
Cell Type: Embryo
Micronucleus test
Mouse
100 MG/KG
Oral
Micronucleus test
Mouse
35 MG/KG
Intraperitoneal
specific locus test
Mouse
100 MG/KG
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Intraperitoneal
DNA damage
Mouse
100 UMOL/L
Cell Type: leukocyte
DNA damage
Mouse
50 MG/KG
Intraperitoneal
DNA inhibition
Mouse
208 MG/KG
Oral
7D
DNA inhibition
Mouse
5 MMOL/L
Cell Type: lymphocyte
DNA inhibition
Mouse
5 MMOL/L
Cell Type: fibroblast
DNA inhibition
Mouse
50 MG/KG
Intraperitoneal
Other mutation test systems
Mouse
14 MG/KG
Oral
7D
Cytogenetic analysis
Mouse
50 MG/KG
Intravenous
Cytogenetic analysis
Mouse
7700 UMOL/L
Cell Type: Ascites tumor
Cytogenetic analysis
Mouse
100 MG/L
Cell Type: lymphocyte
Cytogenetic analysis
Mouse
50 MG/KG
Intravenous
Sister chromatid exchange
Mouse
5 GM/KG
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Oral
5D
Sister chromatid exchange
Mouse
100 UMOL/L
Cell Type: Other cell types
Sister chromatid exchange
Mouse
2520 MG/KG
Oral
W
Dominant lethal test
Mouse
500 MG/L
Cell Type: lymphocyte
Mutation in mammalian somatic cells.
Mouse
150 MG/KG
Cell Type: Ascites tumor
Host-mediated assay
Hamster
300 MG/KG
Oral
Micronucleus test
Hamster
125 MG/L
Cell Type: Embryo
Morphological transformation.
Hamster
1 MMOL/L
Cell Type: lung
DNA inhibition
Hamster
2 MMOL/L
Cell Type: ovary
Cytogenetic analysis
Hamster
10 MMOL/L
Cell Type: lung
Cytogenetic analysis
Hamster
25 MMOL/L
2H
Cell Type: Other cell types
Cytogenetic analysis
Hamster
1 GM/L
Cell Type: fibroblast
Cytogenetic analysis
Hamster
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4 MMOL/L
Cell Type: lung
Sister chromatid exchange
Hamster
300 MG/KG
Oral
Sister chromatid exchange
Chicken
25 MMOL/L
Cell Type: fibroblast
Cytogenetic analysis
Mammal
100 MMOL/L
Cell Type: lymphocyte
DNA damage
Mammal
10 MMOL/L
Cell Type: lymphocyte
DNA inhibition
CHRONIC EXPOSURE - TERATOGEN
Result: Laboratory experiments have shown teratogenic effects.
Species: Woman
Dose: 6750 MG/KG
Route of Application: Oral
Exposure Time: (1-39W PREG)
Result: Specific Developmental Abnormalities: Craniofacial
(including nose and tongue). Specific Developmental
Abnormalities: Musculoskeletal system.
Species: Rat
Dose: 200 MG/KG
Route of Application: Oral
Exposure Time: (13-14D PREG)
Result: Effects on Embryo or Fetus: Extra embryonic structures
(e.g., placenta, umbilical cord). Effects on Embryo or Fetus:
Fetotoxicity (except death, e.g., stunted fetus).
Species: Rat
Dose: 1750 MG/KG
Route of Application: Oral
Exposure Time: (15-21D PREG)
Result: Specific Developmental Abnormalities: Blood and
lymphatic system (including spleen and marrow). Specific
Developmental Abnormalities: Homeostasis
Species: Rat
Dose: 114 MG/KG
Route of Application: Oral
Exposure Time: (1-19D PREG)
Result: Specific Developmental Abnormalities: Musculoskeletal
system.
Species: Rat
Dose: 120 MG/KG
Route of Application: Oral
Exposure Time: (12D PREG)
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Result: Effects on Embryo or Fetus: Maternal-fetal exchange.
Species: Rat
Dose: 75 MG/KG
Route of Application: Intraperitoneal
Exposure Time: (12D PREG)
Result: Specific Developmental Abnormalities: Central nervous
system. Specific Developmental Abnormalities: Eye, ear.
Species: Rat
Dose: 37500 UG/KG
Route of Application: Intravenous
Exposure Time: (11D PREG)
Result: Effects on Embryo or Fetus: Fetotoxicity (except death,
e.g., stunted fetus).
Species: Rat
Dose: 25 MG/KG
Route of Application: Intravenous
Exposure Time: (6D PREG)
Result: Specific Developmental Abnormalities: Musculoskeletal
system.
Species: Rat
Dose: 113 MG/KG
Route of Application: Intravenous
Exposure Time: (11D PREG)
Result: Specific Developmental Abnormalities: Musculoskeletal
system.
Species: Mouse
Dose: 350 MG/KG
Route of Application: Oral
Exposure Time: (8D PREG)
Result: Specific Developmental Abnormalities: Musculoskeletal
system.
Species: Mouse
Dose: 1650 MG/KG
Route of Application: Oral
Exposure Time: (6-16D PREG)
Result: Specific Developmental Abnormalities: Central nervous
system. Specific Developmental Abnormalities: Craniofacial
(including nose and tongue). Specific Developmental
Abnormalities: Musculoskeletal system.
Species: Mouse
Dose: 2691 MG/KG
Route of Application: Oral
Exposure Time: (5-18D PREG)
Result: Specific Developmental Abnormalities: Other
developmental abnormalities.
Species: Mouse
Dose: 250 MG/KG
Route of Application: Intraperitoneal
Exposure Time: (10D PREG)
Result: Effects on Embryo or Fetus: Fetal death.
Species: Mouse
Dose: 200 MG/KG
Route of Application: Intraperitoneal
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Exposure Time: (12D PREG)
Result: Specific Developmental Abnormalities: Musculoskeletal
system. Specific Developmental Abnormalities: Other
developmental abnormalities.
Species: Mouse
Dose: 150 MG/KG
Route of Application: Subcutaneous
Exposure Time: (13D PREG)
Result: Specific Developmental Abnormalities: Craniofacial
(including nose and tongue). Specific Developmental
Abnormalities: Musculoskeletal system. Specific Developmental
Abnormalities: Other developmental abnormalities.
Species: Mouse
Dose: 400 MG/KG
Route of Application: Subcutaneous
Exposure Time: (13D PREG)
Result: Specific Developmental Abnormalities: Gastrointestinal
system.
Species: Mouse
Dose: 200 MG/KG
Route of Application: Intravenous
Exposure Time: (13D PREG)
Result: Specific Developmental Abnormalities: Craniofacial
(including nose and tongue). Specific Developmental
Abnormalities: Other developmental abnormalities.
Species: Mouse
Dose: 408 MG/KG
Route of Application: Multiple
Exposure Time: (9W PRE/12D PREG)
Result: Specific Developmental Abnormalities: Skin and skin
appendages.
CHRONIC EXPOSURE - REPRODUCTIVE HAZARD
Result: Overexposure may cause reproductive disorder(s) based on
tests with laboratory animals.
Species: Woman
Dose: 3276 MG/KG
Route of Application: Oral
Exposure Time: (1-39W PREG)
Result: Maternal Effects: Parturition. Effects on Newborn:
Stillbirth.
Species: Woman
Dose: 1092 MG/KG
Route of Application: Oral
Exposure Time: (1-91D PREG)
Result: Effects on Fertility: Abortion.
Species: Rat
Dose: 627 MG/KG
Route of Application: Oral
Exposure Time: (1-22D PREG)
Result: Effects on Newborn: Biochemical and metabolic. Effects
on Newborn: Other postnatal measures or effects.
Species: Rat
Dose: 85 MG/KG
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Route of Application: Oral
Exposure Time: (3-19D PREG)
Result: Effects on Newborn: Behavioral. Effects on Newborn:
Physical.
Species: Rat
Dose: 660 MG/KG
Route of Application: Oral
Exposure Time: (1-22D PREG)
Result: Effects on Fertility: Female fertility index (e.g., #
females pregnant per # sperm positive females; # females
pregnant per # females mated ). Specific Developmental
Abnormalities: Urogenital system. Effects on Newborn: Weaning or
lactation index (e.g., # alive at weaning per # alive at day 4).
Species: Rat
Dose: 420 MG/KG
Route of Application: Intraperitoneal
Exposure Time: (1-21D PREG)
Result: Effects on Fertility: Post-implantation mortality (e.g.,
dead and/or resorbed implants per total number of implants).
Effects on Fertility: Litter size (e.g.; # fetuses per litter;
measured before birth). Effects on Embryo or Fetus: Fetotoxicity
(except death, e.g., stunted fetus).
Species: Rat
Dose: 200 MG/KG
Route of Application: Subcutaneous
Exposure Time: (4D MALE)
Result: Effects on Newborn: Viability index (e.g., # alive at
day 4 per # born alive).
Species: Mouse
Dose: 1 GM/KG
Route of Application: Oral
Exposure Time: (8-12D PREG)
Result: Effects on Newborn: Growth statistics (e.g., reduced
weight gain).
Species: Mouse
Dose: 1650 MG/KG
Route of Application: Oral
Exposure Time: (6-16D PREG)
Result: Effects on Fertility: Post-implantation mortality (e.g.,
dead and/or resorbed implants per total number of implants).
Effects on Embryo or Fetus: Fetotoxicity (except death, e.g.,
stunted fetus).
Species: Mouse
Dose: 500 MG/KG
Route of Application: Intraperitoneal
Exposure Time: (11-12D PREG)
Result: Effects on Fertility: Post-implantation mortality (e.g.,
dead and/or resorbed implants per total number of implants).
Specific Developmental Abnormalities: Other developmental
abnormalities.
Species: Mouse
Dose: 200 MG/KG
Route of Application: Intraperitoneal
Exposure Time: (12D PREG)
Result: Effects on Fertility: Post-implantation mortality (e.g.,
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dead and/or resorbed implants per total number of implants).
Effects on Embryo or Fetus: Fetotoxicity (except death, e.g.,
stunted fetus). Specific Developmental Abnormalities:
Craniofacial (including nose and tongue).
Species: Mouse
Dose: 200 MG/KG
Route of Application: Subcutaneous
Exposure Time: (12D PREG)
Result: Effects on Fertility: Post-implantation mortality (e.g.,
dead and/or resorbed implants per total number of implants).
Effects on Embryo or Fetus: Fetotoxicity (except death, e.g.,
stunted fetus). Specific Developmental Abnormalities:
Craniofacial (including nose and tongue).
Species: Mouse
Dose: 150 MG/KG
Route of Application: Subcutaneous
Exposure Time: (13D PREG)
Result: Effects on Fertility: Post-implantation mortality (e.g.,
dead and/or resorbed implants per total number of implants).
Effects on Fertility: Litter size (e.g.; # fetuses per litter;
measured before birth).
Species: Hamster
Dose: 8160 MG/KG
Route of Application: Oral
Exposure Time: (60D MALE)
Result: Effects on Newborn: Sex ratio.
12 - Ecological Information
N/A
ECOTOXICOLOGICAL EFFECTS
Test Type: EC50 Daphnia
Species: Daphnia magna
Time: 48 h
Value: 182 mg/l
Test Type: LC50 Fish
Species: Leuciscus idus
Time: 96 h
Value: 87 mg/l
13 - Disposal Considerations
SUBSTANCE DISPOSAL
Contact a licensed professional waste disposal service to dispose
of this material. Dissolve or mix the material with a combustible
solvent and burn in a chemical incinerator equipped with an
afterburner and scrubber. Observe all federal, state, and local
environmental regulations.
14 - Transport Information
RID/ADR
UN#: 1544
Class: 6.1
PG: III
Proper Shipping Name: Alkaloids, solid, n.o.s.
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IMDG
UN#: 1544
Class: 6.1
PG: III
Proper Shipping Name: Alkaloids, solid, n.o.s.
Marine Pollutant: No
Severe Marine Pollutant: No
Technical Name: Required
IATA
UN#: 1544
Class: 6.1
PG: III
Proper Shipping Name: Alkaloids, solid, n.o.s.
Inhalation Packing Group I: No
Technical Name: Required
15 - Regulatory Information
CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
ANNEX I INDEX NUMBER: 613-086-00-5
INDICATION OF DANGER: Xn
Harmful.
R-PHRASES: 22
Harmful if swallowed.
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 1
SWITZERLAND
SWISS POISON CLASS: 3
16 - Other Information
WARRANTY
The above information is believed to be correct but does not
purport to be all inclusive and shall be used only as a guide. The
information in this document is based on the present state of our
knowledge and is applicable to the product with regard to
appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Sigma-Aldrich Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2005 Sigma-Aldrich Co. License granted to make unlimited
paper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
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