ethyl 6-cyanohexanoate

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Names

[ CAS No. ]:
10137-65-2

[ Name ]:
ethyl 6-cyanohexanoate

[Synonym ]:
HEXANOIC ACID,6-CYANO-,ETHYL ESTER
6-Cyanoethylhexanoat
6-Cyan-capronsaeure-ethylester
6-cyano-hexanoic acid ethyl ester
6-Cyan-hexansaeure-aethylester
6-Cyan-hexansaeure-ethylester
WLN: NC5VO2

Chemical & Physical Properties

[ Density]:
0.972g/cm3

[ Boiling Point ]:
263.8ºC at 760 mmHg

[ Molecular Formula ]:
C9H15NO2

[ Molecular Weight ]:
169.22100

[ Flash Point ]:
118.1ºC

[ Exact Mass ]:
169.11000

[ PSA ]:
50.09000

[ LogP ]:
2.02358

[ Vapour Pressure ]:
0.0101mmHg at 25°C

[ Index of Refraction ]:
1.435

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO7200000
CHEMICAL NAME :
Hexanoic acid, 6-cyano-, ethyl ester
CAS REGISTRY NUMBER :
10137-65-2
BEILSTEIN REFERENCE NO. :
1762711
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H15-N-O2
MOLECULAR WEIGHT :
169.25
WISWESSER LINE NOTATION :
NC5VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11200 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
7070 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 6-Bromohexanoic acid
  • Ethyl 6-bromohexanoate
  • Sodium cyanide

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%

Related Compounds

  • ethyl 6-methoxy-7-oxo-2,5-diphenyl-azepine-3-carboxylate
  • ethyl 6-methyl-4-oxohept-6-enoate
  • Ethyl-6(S),7-isopropylidenedioxy-hept-4-enoate
  • ethyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
  • ETHYL 6-KETOHEPTANOATE
  • Ethyl 6-bromo-1H-indazole-3-carboxylate
  • 4-[(3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanoic acid
  • (2R)-2-[(4S)-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5,5,5-trifluoropentanamido]butanoic acid
  • 3-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxypropanamido]-2-(propan-2-yl)butanoic acid
  • 2-{[(2S,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxybutanamido]methyl}cyclopentane-1-carboxylic acid
  • 4-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-fluorophenyl]formamido}-3-hydroxybutanoic acid
  • 2-{2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopropyl]acetyl}-octahydrocyclopenta[c]pyrrole-1-carboxylic acid
  • 1-{2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopropyl]acetyl}-4-methoxypiperidine-4-carboxylic acid
  • 2-({2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopropyl]acetamido}methyl)-4,4-dimethylpentanoic acid
  • (3R)-3-[(2R,3S)-3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]hexanoic acid
  • 2-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-2-azabicyclo[2.2.2]octane-6-carboxylic acid
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