3-Hydroxy-4-pentenenitrile

Modify Date: 2024-01-20 22:33:49

3-Hydroxy-4-pentenenitrile Structure
3-Hydroxy-4-pentenenitrile structure
Common Name 3-Hydroxy-4-pentenenitrile
CAS Number 6071-81-4 Molecular Weight 97.115
Density 1.0±0.1 g/cm3 Boiling Point 247.0±20.0 °C at 760 mmHg
Molecular Formula C5H7NO Melting Point N/A
MSDS N/A Flash Point 103.2±21.8 °C

 Names

Name butene, (s)-1-cyano-2-hydroxy-3
Synonym More Synonyms

 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%

 Synonyms

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
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