N-Butyl cyanoacetate

Modify Date: 2025-08-25 20:48:20

N-Butyl cyanoacetate Structure
N-Butyl cyanoacetate structure
 Common Name N-Butyl cyanoacetate
CAS Number 5459-58-5 Molecular Weight 141.168
Density 1.0±0.1 g/cm3 Boiling Point 233.7±0.0 °C at 760 mmHg
Molecular Formula C7H11NO2 Melting Point -80ºC
MSDS Chinese USA Flash Point 87.2±0.0 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name n-Butyl cyanoacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 233.7±0.0 °C at 760 mmHg
Melting Point -80ºC
Molecular Formula C7H11NO2
Molecular Weight 141.168
Flash Point 87.2±0.0 °C
Exact Mass 141.078979
PSA 50.09000
LogP 1.12
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.427
Water Solubility IMMISCIBLE

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AG3692500
CHEMICAL NAME :
Acetic acid, cyano-, butyl ester
CAS REGISTRY NUMBER :
5459-58-5
BEILSTEIN REFERENCE NO. :
1761735
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H11-N-O2

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 :
4180 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 35(2),42,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6270 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 35(2),42,1991

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H312 + H332-H315-H319-H335
Precautionary Statements P261-P280-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 Xn:Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S27-S36/37/39
RIDADR UN 3276 6.1/PG 3
WGK Germany 3
RTECS AG3692500
Packaging Group III
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%

 Articles1

More Articles
Iridium catalysed alkylation of tert-butyl cyanoacetate with alcohols under solvent free conditions.

Tetrahedron 65(4) , 849-854, (2009)

 Synonyms

tert-Butyl cyanoacetate
Acetic acid, 2-cyano-, butyl ester
2-Methyl-2-propanyl cyanoacetate
EINECS 226-730-1
Butyl cyanoacetate
tert-Butylcyanacetat
MFCD00001941
Acetic acid, cyano-, 1,1-dimethylethyl ester
Acetic acid, cyano-, tert-butyl ester
butyl 2-cyanoacetate
Acetic acid, 2-cyano-, 1,1-dimethylethyl ester
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