ChemicalBook--->CAS DataBase List--->557-00-6

557-00-6

557-00-6 Structure

557-00-6 Structure
IdentificationBack Directory
[Name]

Propyl isovalerate
[CAS]

557-00-6
[Synonyms]

FEMA 2960
PROPYL ISOVALERATE
1-Propyl isovalerate
PROPYL ISOPENTANOATE
PROPYL ISOVALERIANATE
Isovaleric acid propyl
PROPYL 3-METHYLBUTYRATE
PROPYL 3-METHYLBUTANOATE
Isovalericacid,propylester
Propyl isovalerate >=98.0%
PROPYL ISOVALERATE, NATURAL
3-Methylbutanoic acid propyl
Isovaleric acid, propyl ester
3-methylbutanoicacidpropylester
3-methyl-butanoicacipropylester
3-methyl-butyricacidpropylester
Butanoicacid,3-methyl-,propylester
PROPYL ISOVALERATE, STANDARD FOR GC
Butanoic acid, 3-methyl-, propyl ester
[EINECS(EC#)]

209-148-2
[Molecular Formula]

C8H16O2
[MDL Number]

MFCD00048695
[MOL File]

557-00-6.mol
[Molecular Weight]

144.21
Chemical PropertiesBack Directory
[Melting point ]

-63.35°C (estimate)
[Boiling point ]

155.8°C
[density ]

0.862 g/mL at 20 °C(lit.)
[FEMA ]

2960 | PROPYL ISOVALERATE
[refractive index ]

n20/D 1.403
[Fp ]

44 °C
[storage temp. ]

Storage temp. 2-8°C
[Appearance]

Colorless to light yellow Liquid
[Odor]

at 100.00 %. bitter sweet apple fruity
[Odor Threshold]

0.000056ppm
[Odor Type]

fruity
[JECFA Number]

197
[BRN ]

1747146
[InChI]

InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
[InChIKey]

LSJMDWFAADPNAX-UHFFFAOYSA-N
[SMILES]

C(OCCC)(=O)CC(C)C
[LogP]

2.65
[NIST Chemistry Reference]

Propyl isovalerate(557-00-6)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H225
[Precautionary statements ]

P210-P403+P235
[Risk Statements ]

10
[Safety Statements ]

16
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

2
[RTECS ]

NY1512000
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Propyl isovalerate(557-00-6).msds
Hazard InformationBack Directory
[Chemical Properties]

Propyl isovalerate has a fruity odor and a bittersweet flavor similar to apple.
[Occurrence]

Reported found in banana, Gruyere de Comte cheese and jackfruit.
[Definition]

ChEBI: Propyl 3-methylbutanoate is a fatty acid ester.
[Preparation]

By prolonged boiling of propyl alcohol with isovaleric acid in benzene in the presence of concentrated H2SO4.
[Aroma threshold values]

Detection: 8.7 to 33 ppb
Spectrum DetailBack Directory
[Spectrum Detail]

Propyl isovalerate(557-00-6)MS
Propyl isovalerate(557-00-6)1HNMR
Propyl isovalerate(557-00-6)13CNMR
Propyl isovalerate(557-00-6)IR1
Propyl isovalerate(557-00-6)Raman
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