Compound: ISOPRENE
SMILES: C(C=C)(=C)C
InChIKey: RRHGJUQNOFWUDK-UHFFFAOYSA-N
Synonyms: ISOPRENE, 78-79-5, 2-Methyl-1,3-butadiene, 2-Methylbuta-1,3-diene, Isopentadiene, 2-Methylbutadiene, 2-Methyldivinyl, 1,3-Butadiene, 2-methyl-, beta-Methylbivinyl, 3-Methyl-1,3-butadiene, DTXSID2020761, 0A62964IBU, NSC-9237, DTXCID20761, CHEBI:35194, NSC9237, Methyl bivinyl, RefChem:5919, 201-143-3, NATURAL RUBBER, isopreno, isoterpene, Isopren, .beta.-Methylbivinyl, CH2=C(CH3)CH=CH2, 9006-04-6, NSC 9237, MFCD00008600, Isoprene (Stabilized with TBC), Rubber, natural, 26796-44-1, CCRIS 6253, HSDB 620, EINECS 201-143-3, UN1218, Caoutchouc, Elastomers, Ebonite, Heveaplus, Impervia, Rubber, Latex particles, Nafka, Natural latex, UNII-0A62964IBU, India rubber, Nafka kristalgom, Dynatex LA, Dynatex GTZ, Thiokol NVT, LATZ latex, 2-methyl-butadiene, Isoprene, inhibited, Harub 5LV, Heveacrumb SMR 5L, 2-methyl-1, Lorival R 25, Hartex 102HR, Cartex 600, Fultite FB 010K, Fultite FB 520, Hartex 103, Fultite FB 3001, Iotex C 60, Isoprene, >=99%, Kagetex FA 2005, ISOPRENE [HSDB], ISOPRENE [IARC], E 218 (rubber), Mitsuwa RC paper Cement, ISOPRENE [MI], Defo 700, Elastic materials, rubber, UNII-2LQ0UUW8IN, Lotol L 9241, Be Be Tex 1223, bmse000844, Defo 1000, ISNA 5, EC 201-143-3, 2-methyl-buta-1,3-diene, AMA 7, CSV 1, SCHEMBL14855, Isoprene, analytical standard, Mar DR 1135, UN 1218 (Salt/Mix), SCHEMBL125335, SCHEMBL610015, SCHEMBL832955, SCHEMBL836781, DRC 60, SCHEMBL1887286, CHEMBL1566132, SCHEMBL10583300, WLN: 1UY1&1U1, HSDB 6772, GLN 200, GNL 150, Isoprene (1 mg/mL in Methanol), JLX 105, JLX 113, KDP 150, CV 50, CV 60, IR 25, IR 68, EINECS 232-689-0, Tox21_200067, 5L-TP0203, CS 700, EBC-47514, HC 106, AKOS000119971, CCG-266006, FB 3001, MSK163503-100M, CAS-78-79-5, MSK163503-1000M, NCGC00091078-01, NCGC00091078-02, NCGC00257621-01, Isoprene Solution in Methanol, 100ug/mL, PD088096, Isoprene Solution in Methanol, 1000ug/mL, I0160, NS00001388, EN300-19669, Q271943, Isoprene, inhibited [UN1218]  [Flammable liquid], InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H, Z104474660, Isoprene, 99%, contains <1000 ppm p-tert-butylcatechol as inhibitor, 9041-65-0
Theoretical properties:
molecular_formula: C5H8
molecular_weight: 68.12 g/mol
exact_mass: 68.062600255 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 1
heavy_atom_count: 5
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless volatile liquid
color: Colorless volatile liquid
odor: Petroleum-lke
boiling_point: 93 °F at 760 mmHg (NTP, 1992)
melting_point: -184 °F (NTP, 1992)
density: 0.681 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: less than 1 mg/mL at 70.7 °F (NTP, 1992)
flash_point: -65 °F (NTP, 1992)
vapor_pressure: 400 mmHg at 59.7 °F ; 493 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: Isoprene can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).
chebi: A hemiterpene with the formula CH<small><sub>2</sub></small>=C(CH<small><sub>3</sub></small>)CH=CH<small><sub>2</sub></small>; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Isoprene, or 2-methyl-1,3-butadiene, is a common volatile organic compound with the formula CH2=C(CH3)−CH=CH2. In its pure form it is a colorless volatile liquid. It is produced by many plants and animals (including humans) and its polymers are the main component of natural rubber.