hexyl cyanoacetate

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Names

[ CAS No. ]:
13361-53-0

[ Name ]:
hexyl cyanoacetate

[Synonym ]:
cyanoacetic acid hexyl ester
ACETIC ACID,CYANO-,HEXYL ESTER
hexyl cyanoacetate
EINECS 236-426-0
n-hexyl cyanoacetate
Acetic acid,2-cyano-,hexyl ester
Cyanessigsaeure-hexylester

Chemical & Physical Properties

[ Density]:
0.972g/cm3

[ Boiling Point ]:
228.7ºC at 760mmHg

[ Molecular Formula ]:
C9H15NO2

[ Molecular Weight ]:
169.22100

[ Flash Point ]:
98.2ºC

[ Exact Mass ]:
169.11000

[ PSA ]:
50.09000

[ LogP ]:
2.02358

[ Vapour Pressure ]:
0.0724mmHg at 25°C

[ Index of Refraction ]:
1.435

[ Storage condition ]:
2-8℃

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AG4150000
CHEMICAL NAME :
Acetic acid, cyano-, hexyl ester
CAS REGISTRY NUMBER :
13361-53-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H15-N-O2
MOLECULAR WEIGHT :
169.25
WISWESSER LINE NOTATION :
NC1VO6

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 :
6440 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Sense Organs and Special Senses (Olfaction) - ulcerated nasal septum Behavioral - somnolence (general depressed activity)
REFERENCE :
LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland Volume(issue)/page/year: 13FEB1981

Safety Information

[ Risk Phrases ]:
20/21/22-36/37/38

[ Safety Phrases ]:
26-37/39

Precursor & DownStream

Precursor

  • Ethyl cyanoacetate
  • 1-Hexanol

DownStream

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-6-{4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}pyrimidine
  • 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)-
  • 2-(Morpholine-4-carbonyl)-4-[(pyridin-2-yl)methyl]morpholine
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine