N-Butyl cyanoacetate
Names
[ CAS No. ]:
5459-58-5
[ Name ]:
N-Butyl cyanoacetate
[Synonym ]:
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
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
MSDS
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
[ 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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
Tetrahedron 65(4) , 849-854, (2009)