PROPYL ISOPENTANOATE

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Names

[ CAS No. ]:
557-00-6

[ Name ]:
PROPYL ISOPENTANOATE

[Synonym ]:
PROPYL ISOPENTANOATE
Butanoic acid, 3-methyl-, propyl ester
Isovaleric acid,propyl ester
Isovaleric acid, propyl ester
Propyl 3-methylbutyrate
Butanoic acid,3-methyl-,propyl ester
Butyric acid, 3-methyl-, propyl ester
Propyl isovalerianate
propyl iso-valerianate
EINECS 209-148-2
Isovaleriansaeure-propylester
3-methyl-butanoic acid,propyl ester
FEMA No. 2960
Propyl 3-methylbutanoate
3OV1Y1&1
PropylIsovalerate

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
156.3±8.0 °C at 760 mmHg

[ Molecular Formula ]:
C8H16O2

[ Molecular Weight ]:
144.211

[ Flash Point ]:
46.7±8.3 °C

[ Exact Mass ]:
144.115036

[ PSA ]:
26.30000

[ LogP ]:
2.65

[ Vapour Pressure ]:
2.9±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.411

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1512000
CHEMICAL NAME :
Isovaleric acid, propyl ester
CAS REGISTRY NUMBER :
557-00-6
BEILSTEIN REFERENCE NO. :
1747146
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H16-O2
MOLECULAR WEIGHT :
144.24
WISWESSER LINE NOTATION :
3OV1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
8222 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972

Safety Information

[ Symbol ]:

GHS02

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226

[ Risk Phrases ]:
R10

[ Safety Phrases ]:
16

[ RIDADR ]:
UN 3272 3/PG 3

[ RTECS ]:
NY1512000

Synthetic Route

Precursor & DownStream

Precursor

  • 1-Propanol
  • 3-Methylbutanoic acid

DownStream

  • 1-Propanol
  • 3-Methylbutanoic acid

Articles

Organoleptic Characteristics of Flavor Materials Michalski, J.

Perfum. Flavor. 39(4) , 50, (2014)


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Related Compounds

  • isopropyl isopentanoate
  • Propyl,1-(ethoxycarbonyl)-2-methyl- (9CI)
  • propyl 4-[[cyano(phenyl)methyl]amino]benzoate
  • Propyl 2-(Methylthio)acetate
  • propyl 2-cyano-2-(4,5-dihydroxy-1,3-dithiolan-2-ylidene)acetate
  • propyl 2-methylhept-2-enoate