heptyl butyrate

Suppliers

Names

[ CAS No. ]:
5870-93-9

[ Name ]:
heptyl butyrate

[Synonym ]:
heptyl butyrate
EINECS 227-526-5
FEMA No. 2549
Butyric acid,heptyl ester
MFCD00048908
Butanoic acid,heptyl ester
n-Heptyl-butyrat
Buttersaeure-heptylester

Chemical & Physical Properties

[ Density]:
0.864 g/mL at 25ºC(lit.)

[ Boiling Point ]:
225-226ºC(lit.)

[ Melting Point ]:
-58ºC(lit.)

[ Molecular Formula ]:
C11H22O2

[ Molecular Weight ]:
186.29100

[ Flash Point ]:
195 °F

[ Exact Mass ]:
186.16200

[ PSA ]:
26.30000

[ LogP ]:
3.30010

[ Index of Refraction ]:
n20/D 1.4215(lit.)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK7876000
CHEMICAL NAME :
Butanoic acid, heptyl ester
CAS REGISTRY NUMBER :
5870-93-9
BEILSTEIN REFERENCE NO. :
1760253
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C11-H22-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,333,1988
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 :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,333,1988

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ Hazard Codes ]:
Xn

[ WGK Germany ]:
2

[ RTECS ]:
EK7876000

Synthetic Route

Precursor & DownStream

Precursor

  • Valeraldehyde
  • bromoheptane
  • Heptan-1-ol
  • ethyl butanoate
  • Butyric Acid
  • n-Butyl butanoate

DownStream


Related Compounds

  • 2-heptyl butyrate
  • 2-Benzylideneheptyl butyrate
  • heptyl 2-methyl butyrate
  • heptyl 3-[4-(3-heptoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
  • heptyl 8-bromooctanoate
  • heptyl-(2-hydroxy-2-methyl-5-propan-2-ylcyclohexyl)-dimethylazanium,bromide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • tert-butyl 4H,5H,6H,7H,8H-furo[3,2-c]azepine-2-carboxylate
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 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)-
  • (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
  • 2-[2-Methyl-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid