isoprene

Names

[ CAS No. ]:
78-79-5

[ Name ]:
isoprene

[Synonym ]:
2-methyl-buta-1,3-diene
BUFFER PH7.20
EINECS 201-143-3
BUFFER ACETATE
2-methyl-1,3-butadiene
3-methyl-1,2-butadiene
Isopentadiene
Vita-crop
2-methylethene
decyclo-C5
MFCD00137248
Isoprene

Chemical & Physical Properties

[ Density]:
0.68

[ Boiling Point ]:
34 ºC

[ Melting Point ]:
-146 ºC

[ Molecular Formula ]:
C₅H₈

[ Molecular Weight ]:
68.117

[ Flash Point ]:
-48 ºC

[ Exact Mass ]:
68.062599

[ LogP ]:
2.41

[ Vapour density ]:
2.35 (vs air)

[ Vapour Pressure ]:
549.0±0.0 mmHg at 25°C

[ Index of Refraction ]:
1.400

[ Water Solubility ]:
0.07 g/100 mL

[ Freezing Point ]:
-145.96℃

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NT4037000

CHEMICAL NAME :: Isoprene

CAS REGISTRY NUMBER :: 78-79-5

LAST UPDATED :: 199712

DATA ITEMS CITED :: 20

MOLECULAR FORMULA :: C5-H8

MOLECULAR WEIGHT :: 68.13

WISWESSER LINE NOTATION :: 1UY1&1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 180 gm/m3/4H

TOXIC EFFECTS :: Behavioral - general anesthetic Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 139 gm/m3/2H

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 157 mg/kg/9W-C

TOXIC EFFECTS :: Behavioral - alteration of classical conditioning

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3400 mg/m3/22W-I

TOXIC EFFECTS :: Brain and Coverings - changes in brain weight Lungs, Thorax, or Respiration - changes in lung weight Kidney, Ureter, Bladder - changes in kidney weight

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3400 mg/m3/17W-I

TOXIC EFFECTS :: Behavioral - changes in psychophysiological tests

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 3400 mg/m3/17W-I

TOXIC EFFECTS :: Behavioral - alteration of classical conditioning Blood - changes in leukocyte (WBC) count

TYPE OF TEST :: Micronucleus test

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 438 ppm/6H/12D (Continuous)

REFERENCE :: MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1986- Volume(issue)/page/year: 3,141,1988 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 60,215,1994 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 60,215,1994 IARC Cancer Review:Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 60,215,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-POLAND:TWA 100 mg/m3 JAN 1993 OEL-RUSSIA:STEL 40 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 40940 No. of Facilities: 2278 (estimated) No. of Industries: 36 No. of Occupations: 43 No. of Employees: 58102 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 40940 No. of Facilities: 123 (estimated) No. of Industries: 6 No. of Occupations: 15 No. of Employees: 3703 (estimated) No. of Female Employees: 578 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H224-H341-H350-H411

[ Precautionary Statements ]:
P201-P210-P280-P308 + P313-P370 + P378-P403 + P235

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US)

[ Hazard Codes ]:
F+:Highlyflammable;T:Toxic;

[ Risk Phrases ]:
R12;R45;R52/53;R68

[ Safety Phrases ]:
S53-S45-S61

[ RIDADR ]:
UN 1218 3/PG 1

[ WGK Germany ]:
1

[ RTECS ]:
NT4037000

[ Packaging Group ]:
I

[ Hazard Class ]:
3

[ HS Code ]:
4002601000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

6-O-allyl-1,2-O-isopropylidene-3-O-methallyl-5-O-prenyl-α-D-glucofuranose
2-Metbut-1-en-1yne
3-Methyl-2-buten-1-ol
Formaldehyde
Isobutylene
tert-Butanol
3-Methyl-1-butanol
2-Methyl-3-buten-2-ol
isopentenyl diphosphate
2,3-Dibromo-2-methylbutane

DownStream

4-prop-1-en-2-yl-1,3-thiazolidin-2-one
(1-acetyl-4-methylcyclohex-3-en-1-yl) 4-nitrobenzoate
1-Acetyl-3-methyl-3-cyclohexen-1-yl p-nitrobenzoate
3-(bromomethyl)-2,2-dimethyloxirane
1-(1,4,6-trimethylcyclohex-3-en-1-yl)ethanone
N-(3-methylbut-2-enyl)-N-phenylacetamide
2-ethenyl-2-methyl-3,5,6,7-tetrahydro-1-benzofuran-4-one
4-bromo-3-methylbut-2-en-1-ol,formic acid
dimethyl-(4-methylpent-3-en-2-yl)-phenylsilane

Customs

[ HS Code ]: 4002601000

Articles

Isoprene emission by poplar is not important for the feeding behaviour of poplar leaf beetles.

BMC Plant Biol. 15 , 165, (2015)

Chrysomela populi (poplar leaf beetle) is a common herbivore in poplar plantations whose infestation causes major economic losses. Because plant volatiles act as infochemicals, we tested whether isopr...

Breath metabolite response to major upper gastrointestinal surgery.

J. Surg. Res. 193(2) , 704-12, (2015)

Esophagectomy and gastrectomy are associated with profound metabolic changes and significant postoperative morbidity. The aim of this prospective clinical study was to determine whether breath analysi...

The Eucalyptus terpene synthase gene family.

BMC Genomics 16 , 450, (2015)

Terpenoids are abundant in the foliage of Eucalyptus, providing the characteristic smell as well as being valuable economically and influencing ecological interactions. Quantitative and qualitative in...

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(3R)-isoprene oxide
Isoprene Bromohydrin
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Smssf-0625572
4-propyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
N-Phenyl-2-(3-(3-(pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)acetamide
N-(3-methoxyphenyl)-3-[3-(pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
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