ChemicalBook--->CAS DataBase List--->626-77-7

626-77-7

626-77-7 Structure

626-77-7 Structure
IdentificationMore
[Name]

Caproic acid propyl ester
[CAS]

626-77-7
[Synonyms]

CAPROIC ACID PROPYL ESTER
FEMA 2949
N-PROPYL CAPROATE
N-PROPYL HEXANOATE
N-PROPYL N-CAPROATE
PROPYL CAPROATE
PROPYL HEXANOATE
caproicacidpropylestergradei
Hexanoic acid, propyl ester
Hexanoicacid,propylester
hexanoicacidpropylester
n-Propyl n-hexanoate
Hexanoic acid n-propyl ester
PROPYL CAPROATE (PROPYL-HEXANOATE)
PROPYL HEXANOATE 98+%
PROPYL HEXANOATE 90+% NATURAL
n-Propylhexanoate,97%
PROPYL CAPROATE, NATURAL
Caproic acid propyl ester, Propyl caproate
n-Propyl hexanoate, Caproic acid propyl ester, Propyl caproate
[EINECS(EC#)]

210-963-0
[Molecular Formula]

C9H18O2
[MDL Number]

MFCD00053803
[Molecular Weight]

158.24
[MOL File]

626-77-7.mol
Chemical PropertiesBack Directory
[Melting point ]

-69 °C (lit.)
[Boiling point ]

187 °C (lit.)
[density ]

0.867 g/mL at 25 °C(lit.)
[FEMA ]

2949
[refractive index ]

n20/D 1.412(lit.)
[Fp ]

125 °F
[storage temp. ]

2-8°C
[solubility ]

Almost insoluble in water, soluble in alcohol and oils.
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in dipropylene glycol. sweet fruity juicy pineapple green tropical
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

161
[Major Application]

flavors and fragrances
[InChI]

1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
[InChIKey]

HTUIWRWYYVBCFT-UHFFFAOYSA-N
[SMILES]

CCCCCC(=O)OCCC
[LogP]

3.37
[CAS DataBase Reference]

626-77-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Propyl caproate(626-77-7)
[EPA Substance Registry System]

626-77-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P240-P241-P280a-P303+P361+P353-P501a
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29159000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

p-Toluenesulfonic acid-->Hexanoic acid-->3-propan-2-yloxyprop-1-ene-->Allyl n-propyl ether-->4-Nonanone-->AMYL BUTYRATE-->1-Propanol-->Hexanoyl chloride-->Methyl hexanoate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Caproic acid propyl ester(626-77-7).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Chemical Properties]

n-Propyl hexanoate has an ether-like odor with a pineapple–blackberry undertone. It has a sweet, fruity flavor of blackberry and plum.
[Uses]

n-Propyl hexanoate is a solvent for polar compounds and a fragrance used to replicate fruit scents and as.
[Definition]

ChEBI: A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with propan-1-ol.
[Preparation]

By esterification of hexanoic acid with propyl alcohol in benzene solution in the presence of p-toluenesulfonic acid.
[Taste threshold values]

Taste characteristics at 50 ppm: pineapple, fruity, sweet, tropical, fresh green and juicy.
Spectrum DetailBack Directory
[Spectrum Detail]

Caproic acid propyl ester(626-77-7)1HNMR
Caproic acid propyl ester(626-77-7)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

n-Propyl hexanoate, 98%(626-77-7)
[Sigma Aldrich]

626-77-7(sigmaaldrich)
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