Citronellyl nitrile

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Names

[ CAS No. ]:
51566-62-2

[ Name ]:
Citronellyl nitrile

[Synonym ]:
6-OCTENENITRILE,3,7-DIMETHYL
3,7-dimethyl-6-octenonitrile
3,7-Dimethyl-6-octene-1-nitrile
3,7-dimethyl-6-octenylnitrile
Citronellonitrile
citronellyl nitrile
3,7-dimethyl-6-octenenitrile
MFCD00072204
EINECS 257-288-8

Chemical & Physical Properties

[ Density]:
0.836 g/cm3

[ Boiling Point ]:
229 - 230ºC

[ Melting Point ]:
15ºC

[ Molecular Formula ]:
C10H17N

[ Molecular Weight ]:
151.24900

[ Flash Point ]:
229 - 230ºC

[ Exact Mass ]:
151.13600

[ PSA ]:
23.79000

[ LogP ]:
3.28258

[ Index of Refraction ]:
1.445

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH2250000
CHEMICAL NAME :
6-Octenenitrile, 3,7-dimethyl-
CAS REGISTRY NUMBER :
51566-62-2
LAST UPDATED :
199701
WISWESSER LINE NOTATION :
NC1Y1&3UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,525,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,525,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,525,1979

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Citronellol
  • Citronellaldoxime
  • 3,7-Dimethyl-2,6-octadienenitrile
  • Citronellal
  • 3,7-dimethyloct-6-enamide
  • 6-Octenal,3,7-dimethyl-, oxime
  • (E)-3,7-Dimethyl-2,6-octadienenitrile

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

  • citronellyl cinnamate
  • citronellyl hexanoate
  • citronellyl ethoxalate
  • CITRONELLYL BUTYRATE
  • citronellyl nerate
  • citronellyl ethyl ether
  • 2,5-Dimethylcyclohexane-1-sulfonyl fluoride
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-[(3-Fluoropyridin-4-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 2,5-Dimethyl-3-({1-[(pyridin-4-yl)methyl]piperidin-4-yl}oxy)pyrazine
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • (S)-3-Methyl-1,4-oxazepan-5-one