UNII:O364AQJ1K5

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Names

[ CAS No. ]:
1838-94-4

[ Name ]:
UNII:O364AQJ1K5

[Synonym ]:
2-Ethenyl-2-methyloxirane
isoprene monoepoxide
MFCD00075225
2-Methyl-2-vinyloxirane
3-methyl-3,4-epoxy-1-butene
Oxirane,2-ethenyl-2-methyl
UNII:O364AQJ1K5
2-Methyl-2-vinyloxacyclopropane
1,2-epoxy-2-methyl-3-butene
3,4-epoxy-3-methyl-1-butene
Oxirane, 2-ethenyl-2-methyl-
(RS)-1,2-Epoxy-2-methyl-3-buten
(R,S)-2-Methyl-2-vinyl-oxirane
2-Vinyl-2-methyloxirane
1-Butene,3,4-epoxy-3-methyl

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
78.7±9.0 °C at 760 mmHg

[ Molecular Formula ]:
C5H8O

[ Molecular Weight ]:
84.116

[ Flash Point ]:
-7.8±0.0 °C

[ Exact Mass ]:
84.057518

[ PSA ]:
12.53000

[ LogP ]:
0.51

[ Appearance of Characters ]:
Liquid | Colorless

[ Vapour Pressure ]:
101.6±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.540

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
Slightly soluble in water.

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H315-H319-H335

[ Precautionary Statements ]:
P210-P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F,Xi

[ Risk Phrases ]:
R11;R36/37/38

[ Safety Phrases ]:
S16-S26-S33-S36/37/39

[ RIDADR ]:
UN 1993 3/PG 2

[ WGK Germany ]:
3

[ Packaging Group ]:
II

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • isoprene
  • 4-bromo-2-methylbut-2-en-1-ol
  • 1-bromo-2-Methylbut-3-en-2-ol
  • 2-methyl-1-[p-(toluenesulfonyl)oxy]-3-butene-1,2-diol
  • (2S)-2-methylbut-3-ene-1,2-diol
  • (S)-2,2,4-trimethyl-4-vinyl-1,3-dioxolane
  • 1-chloro-2-methylbut-3-en-2-ol
  • Peracetic acid
  • Perbenzoic acid

DownStream

  • trans-2-Methyl-2-butenal
  • 5-methyl-3,6-dihydro-pyran-2-one
  • isoprene
  • 3-methyl-2,5-dihydrofuran
  • 1-Penten-3-ol,3-methyl-
  • Lycopene
  • 2-METHOXY-2-METHYL-BUT-3-EN-1-OL
  • ubiquinone-7
  • coenzyme Q10
  • 3-METHYL-3-HEXANOL

Articles

The biotransformation of isoprene and the two isoprene monoepoxides by human cytochrome P450 enzymes, compared to mouse and rat liver microsomes.

Chem. Biol. Interact. 102(3) , 169-82, (1996)

The metabolism of isoprene was investigated with microsomes derived from cell lines expressing human CYP1A1, CYP1A2, CYP2A6, CYP2B6, CYP2C9, CYP2D6, CYP2E1, or CYP3A4. The formation of epoxide metabol...

Conjugation of isoprene monoepoxides with glutathione, catalyzed by alpha, mu, pi and theta-class glutathione S-transferases of rat and man.

Chem. Biol. Interact. 117(1) , 1-14, (1999)

In the present study, the enzymatic conjugation of the isoprene monoepoxides 3,4 epoxy-3-methyl-1-butene (EPOX-I) and 3,4-epoxy-2-methyl-1-butene (EPOX-II) with glutathione was investigated, using pur...

Prediction of isoprene diepoxide levels in vivo in mouse, rat and man using enzyme kinetic data in vitro and physiologically-based pharmacokinetic modelling.

Chem. Biol. Interact. 138(3) , 247-65, (2001)

The present study was designed to explain the differences in isoprene toxicity between mouse and rat based on the liver concentrations of the assumed toxic metabolite isoprene diepoxide. In addition, ...


More Articles

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine