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Substance Name: Isoprene
RN: 78-79-5
UNII: 0A62964IBU
InChIKey: RRHGJUQNOFWUDK-UHFFFAOYSA-N
Note
- Used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers.
Molecular Formula
- C5-H8
Molecular Weight
- 68.1182
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Mutation Data
- Tumor Data
Superlist Classification Codes
- Overall Carcinogenic Evaluation: Group 2B
- Reasonably Anticipated to be a Carcinogen
- Reportable Quantity (RQ) = 100 lb
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Names and Synonyms
Name of Substance
- Isoprene
Synonyms
- 1,3-Butadiene, 2-methyl-
- 2-Methyl-1,3-butadiene
- 2-Methylbutadiene
- 2-Methyldivinyl
- 3-Methyl-1,3-butadiene
- beta-Methylbivinyl
- CCRIS 6253
- EC 201-143-3
- EINECS 201-143-3
- HSDB 620
- Isopentadiene
- Isoprene
- NSC 9237
- UNII-0A62964IBU
Systematic Names
- 1,3-Butadiene, 2-methyl-
- 2-Methyl-1,3-butadiene
- Isoprene
Superlist Names
- 1,3-Butadiene, 2-methyl-
- Isoprene
- Isoprene, inhibited
- Isoprene, inhibited [UN1218] [Flammable liquid]
- UN1218
Registry Numbers
CAS Registry Number
- 78-79-5
FDA UNII
- 0A62964IBU
Other Registry Numbers
- 2378489-72-4
- 78006-92-5
- 823271-95-0
System Generated Number
- 0000078795
Structure Descriptors
InChI
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3InChIKey
RRHGJUQNOFWUDK-UHFFFAOYSA-NSmiles
CC(=C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 139gm/m3/2H (139000mg/m3) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 9(1), Pg. 36, 1965. |
| rat | LC50 | inhalation | 180gm/m3/4H (180000mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Russian Pharmacology and Toxicology Vol. 31, Pg. 162, 1968. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -1.46E+02 | deg C | EXP | |
| Boiling Point | 34 | deg C | EXP | |
| log P (octanol-water) | 2.42 | (none) | EXP | |
| Water Solubility | 642 | mg/L | 25 | EXP |
| Vapor Pressure | 550 | mm Hg | 25 | EXP |
| Henry's Law Constant | 0.077 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.01E-10 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.