3-Hydroxy-4-pentenenitrile
Names
[ CAS No. ]:
6071-81-4
[ Name ]:
3-Hydroxy-4-pentenenitrile
[Synonym ]:
3-hydroxypent-4-enenitrile
Cyanohydroxy butene
(S)-1-cyano-2-hydroxy-3-butene
(2S)-1-cyano-2-hydroxy-3-butene
1-cyano-2-hydroxy-3-butene
3-Hydroxy-4-pentenenitrile
(R)-3-hydroxy-4-pentenenitrile
4-Pentenenitrile, 3-hydroxy-
(S)-3-hydroxy-4-pentenenitrile
Chemical & Physical Properties
[ Density]:
1.0±0.1 g/cm3
[ Boiling Point ]:
247.0±20.0 °C at 760 mmHg
[ Molecular Formula ]:
C5H7NO
[ Molecular Weight ]:
97.115
[ Flash Point ]:
103.2±21.8 °C
[ Exact Mass ]:
97.052765
[ PSA ]:
44.02000
[ LogP ]:
-0.04
[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C
[ Index of Refraction ]:
1.453
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SB4500000
- CHEMICAL NAME :
- 4-Pentenonitrile, 3-hydroxy-, S-
- CAS REGISTRY NUMBER :
- 6071-81-4
- LAST UPDATED :
- 198910
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C5-H7-N-O
- MOLECULAR WEIGHT :
- 97.13
- WISWESSER LINE NOTATION :
- NC1YQ1U1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Behavioral - coma
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 170 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 17,483,1969 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 150 mg/kg
- SEX/DURATION :
- female 8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 18,159,1980
Safety Information
[ HS Code ]:
2926909090
Customs
[ HS Code ]: 2926909090
[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%