ChemicalBook--->CAS DataBase List--->66576-71-4

66576-71-4

66576-71-4 Structure

66576-71-4 Structure
IdentificationBack Directory
[Name]

FEMA 3699
[CAS]

66576-71-4
[Synonyms]

FEMA 3699
ISOPROPYL 2-METHYLBUTYRATE
ISOPROPYL 2-METHYLBUTANOATE
ISOPROPYL METHYL-2-BUTYRATE
ISOPROPYL 2-METHYLBUTYRATE 98+%
2-Methylbutyric acid isopropyl ester
2-methyl-butanoicaci1-methylethylester
2-methyl-butanoic acid 1-methylethyl ester
BUTANOIC ACID, 2-METHYL-, 1-METHYLETHYL ESTER
[EINECS(EC#)]

266-411-4
[Molecular Formula]

C8H16O2
[MDL Number]

29155090
[MOL File]

66576-71-4.mol
[Molecular Weight]

144.21
Chemical PropertiesBack Directory
[Boiling point ]

140-144 °C727 mm Hg(lit.)
[density ]

0.851 g/mL at 25 °C(lit.)
[vapor pressure ]

6.802hPa at 25℃
[FEMA ]

3699
[refractive index ]

n20/D 1.397(lit.)
[Fp ]

90 °F
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. fruity green ethereal dusty tutti frutti tropical coconut herbal
[biological source]

synthetic
[Odor Type]

fruity
[Water Solubility ]

691mg/L at 20℃
[JECFA Number]

210
[Major Application]

flavors and fragrances
[InChI]

1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3
[InChIKey]

DIRDKDDFAMNBNY-UHFFFAOYSA-N
[SMILES]

CCC(C)C(=O)OC(C)C
[LogP]

3.3 at 35℃
[EPA Substance Registry System]

Isopropyl 2-methylbutyrate (66576-71-4)
Safety DataBack Directory
[Risk Statements ]

10
[Safety Statements ]

24/25
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

3
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29155090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Hazard InformationBack Directory
[Chemical Properties]

Isopropyl 2-methylbutyrate has a fruity, sweet, green, oily, ethereal, tropical odor with a pineapple nuance.
[Occurrence]

Reported found in Concord grape and strawberry fruit
[Uses]

flavors and fragrances
[Definition]

ChEBI: Isopropyl 2-methylbutanoate is a fatty acid ester.
[Taste threshold values]

Taste characteristics at 10 ppm: fruity, sweet, apple, pineapple, green with tutti-frutti and citrus nuances.
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 3699(66576-71-4)1HNMR
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