1-Penten-3-ol,3-methyl-

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Names

[ CAS No. ]:
918-85-4

[ Name ]:
1-Penten-3-ol,3-methyl-

[Synonym ]:
Ethylbutenol
EINECS 213-044-2
MFCD00004481
1-PENTEN-3-OL,3-METHYL
2-ethyl-3-buten-2-ol
methyl-ethyl-vinyl-carbinol
3-methyl-1-pentene-3-ol
3-Methyl-1-penten-3-ol
3-methyl-pent-1-en-4-yl-3-ol
3-methyl-pent-1-en-3-ol

Chemical & Physical Properties

[ Density]:
0.838 g/mL at 25 °C(lit.)

[ Boiling Point ]:
117-118 °C(lit.)

[ Melting Point ]:
22.55°C (estimate)

[ Molecular Formula ]:
C6H12O

[ Molecular Weight ]:
100.15900

[ Flash Point ]:
78 °F

[ Exact Mass ]:
100.08900

[ PSA ]:
20.23000

[ LogP ]:
1.33340

[ Index of Refraction ]:
n20/D 1.428(lit.)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB3495000
CHEMICAL NAME :
1-Penten-3-ol, 3-methyl-
CAS REGISTRY NUMBER :
918-85-4
BEILSTEIN REFERENCE NO. :
1361621
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C6-H12-O
MOLECULAR WEIGHT :
100.18
WISWESSER LINE NOTATION :
QX2&1&1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 115,230,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1152 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,477,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,161,1955

Safety Information

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
10-22

[ Safety Phrases ]:
S16-S36

[ RIDADR ]:
UN 1987 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
SB3495000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

Synthetic Route

Precursor & DownStream

Precursor

  • methylpentynol
  • 3-methylpenta-1,4-dien-3-ol
  • Vinylmagnesium bromide
  • 2-Butanone
  • 2-Pentene, 3-methyl-,(2E)-
  • 2-Pentene, 3-methyl-,(2Z)-
  • 3-Methyl-1-penten-4-yn-3-ol
  • 3-methyl-5-(phenylsulfonyl)pent-1-en-3-ol
  • UNII:O364AQJ1K5

DownStream

  • (E)-3-Methyl-1,3-pentadiene
  • 3-Methyl-3-pentanol
  • 1-Pentanol, 3-methyl-
  • 3-methylpentane-1,3-diol
  • 2-ETHYL-1,3-BUTADIENE
  • cis-3-methyl-1,3-pentadiene
  • 3-methyl-1,3-pentadiene
  • (E)-3-methylpent-3-en-1-yl acetate
  • CHROMAN

Related Compounds

  • 1-Penten-3-ol,3-methyl-1-phenyl-,(1Z)
  • 3-Ethyl-2-methyl-1-penten-3-ol
  • 4-(2-fluoroanilino)-3-methylpent-1-en-3-ol
  • acetic acid,3-methylpent-1-en-4-yn-3-ol
  • 3,4,4-Trimethyl-1-penten-3-ol
  • 3-methyl-1,5-diphenylpent-1-en-4-yn-3-ol
  • 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
  • (R)-2,2,2-Trifluoro-1-(4-methoxy-2-methylphenyl)ethan-1-amine
  • 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