isoprene

Modify Date: 2026-06-30 13:36:24

isoprene Structure
isoprene structure
 Common Name isoprene
CAS Number 78-79-5 Molecular Weight 68.117
Density 0.68 Boiling Point 34 ºC
Molecular Formula C5H8 Melting Point -146 ºC
MSDS Chinese USA Flash Point -48 ºC
Symbol GHS02 GHS08 GHS09
GHS02, GHS08, GHS09		 Signal Word Danger

Summary: Isoprene, also known as 异戊二烯, CAS number 78-79-5, has a molecular formula of C5H8 and a molecular weight of 68.117. It appears as a colorless liquid with a fragrant odor, with a melting point of -146 ºC and a boiling point of 34 ºC. It is primarily used for rubber synthesis, particularly in polyisoprene rubber, and also for the production of resins, fragrances, and pharmaceuticals. For research-use only, not for medical or clinical usage.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name isoprene
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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
InChIKey RRHGJUQNOFWUDK-UHFFFAOYSA-N
SMILES C=CC(=C)C
Water Solubility 0.07 g/100 mL
Freezing Point -145.96℃

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS02 GHS08 GHS09
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

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 4002601000

 Articles61

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

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...

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

 isoprene | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular formula of isoprene?
A: Molecular formula of isoprene is C5H8.
Q: What is the boiling point of isoprene?
A: Boiling point of isoprene is 34 ºC.
Q: What is the InChIKey of isoprene?
A: InChIKey of isoprene is RRHGJUQNOFWUDK-UHFFFAOYSA-N.
Q: What are the downstream products of isoprene?
A: Related downstream products(CAS) of isoprene: 104514-83-2;111945-64-3;111945-65-4;1120-79-2;106265-48-9;1073968-62-3;109704-10-1;105425-68-1;106621-06-1.
Q: What English synonyms does isoprene have?
A: English synonyms of isoprene: 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.
Q: What is the melting point of isoprene?
A: Melting point of isoprene is -146 ºC.
Q: What is the safety information for isoprene?
A: Safety information for isoprene: S53-S45-S61.
Q: What is the English name of isoprene?
A: The English name of isoprene is isoprene.
Q: How is the water solubility of isoprene?
A: Water solubility of isoprene: 0.07 g/100 mL.
Q: What is the SMILES notation of isoprene?
A: SMILES notation of isoprene is C=CC(=C)C.

 isoprenefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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Related Compounds: More...
Chromate(3-), bis[4-[4,5-dihydro-4-[2-[2-(hydroxy-kappaO)-5-methyl-3-nitrophenyl]diazenyl-kappaN1]-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, hydrogen (1:3)
73018-74-3
Cobaltate(2-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][2-[[[4-hydroxy-3-[[2-(phenylamino)-1-naphthalenyl]azo]phenyl]sulfonyl]amino]benzoato(3-)]-, sodium hydrogen
73455-76-2
Cobaltate(2-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonato(3-)]-, dihydrogen
72987-06-5
Chromate(3-), bis[5-[2-[5-chloro-2-(hydroxy-kappaO)phenyl]diazenyl-kappaN1]-4-hydroxy-6-(hydroxy-kappaO)-2-naphthalenesulfonato(3-)]-, hydrogen (1:3)
73018-73-2
Chromate(3-), bis[5-chloro-2-(hydroxy-kappaO)-3-[2-[1-(hydroxy-kappaO)-5-hydroxy-2-naphthalenyl]diazenyl-kappaN1]benzenesulfonato(3-)]-, hydrogen (1:3)
72829-08-4
Chromate(3-), bis[5-chloro-2-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-1-naphthalenyl]diazenyl-kappaN1]benzenesulfonato(3-)]-, hydrogen (1:3)
72812-38-5
Chromate(3-), bis[6-(amino-kappaN)-5-[2-[2-(hydroxy-kappaO)-4-nitrophenyl]diazenyl-kappaN1]-1-naphthalenesulfonato(3-)]-, hydrogen (1:3)
73018-70-9
Chromate(3-), bis[7-amino-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-4-nitrophenyl]diazenyl-kappaN1]-2-naphthalenesulfonato(3-)]-, hydrogen (1:3)
63388-88-5
Chromate(3-), tris(formato-kappaO)(3-(hydroxy-kappaO)-4-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, sodium dihydrogen
71205-50-0
Chromate(4-), [4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-5-nitro-3-sulfophenyl]diazenyl-kappaN1]-6-[(sulfomethyl)amino]-2-naphthalenesulfonato(5-)][1-[2-[2-(hydroxy-kappaO)-4-nitrophenyl]diazenyl-kappaN1]-2-naphthalenolato(2-)-kappaO]-, hydrogen (1:4)
73287-44-2
Chemsrc provides isoprene(CAS#:78-79-5) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of isoprene are included as well.>> amp version: isoprene

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