ChemicalBook--->CAS DataBase List--->2349-07-7

2349-07-7

2349-07-7 Structure

2349-07-7 Structure
IdentificationMore
[Name]

Hexyl isobutyrate
[CAS]

2349-07-7
[Synonyms]

1-HEXYL ISOBUTYRATE
FEMA 3172
HEXYL 2-METHYLPROPANOATE
HEXYL ISOBUTYRATE
N-HEXYL ISOBUTYRATE
2-methyl-propanoicacihexylester
Hexyl isobutanoate
hexylisobutanoate
Isobutyric acid, hexyl ester
Isobutyricacid,hexylester
n-Hexyl isobutanoate
n-hexylisobutanoate
Propanoicacid,2-methyl-,hexylester
HEXYL ISOBUTYRATE 98+%
Hexylisobutyrat
HEXYL ISOBUTYRATE, NATURAL
1-Hexanol isobutyrate
2-Methylpropionic acid hexyl ester
[EINECS(EC#)]

219-075-8
[Molecular Formula]

C10H20O2
[MDL Number]

MFCD00027297
[Molecular Weight]

172.26
[MOL File]

2349-07-7.mol
Chemical PropertiesBack Directory
[Melting point ]

-78°C (estimate)
[Boiling point ]

202.6°C (estimate)
[density ]

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

4.39hPa at 20℃
[FEMA ]

3172
[refractive index ]

n20/D 1.413(lit.)
[Fp ]

164 °F
[storage temp. ]

Sealed in dry,Room Temperature
[Odor]

at 100.00 %. green fruity apple pear tart grape ripe berry winey peach
[Odor Type]

green
[Water Solubility ]

58.21mg/L at 20℃
[JECFA Number]

189
[Cosmetics Ingredients Functions]

PERFUMING
[LogP]

4.668 at 25℃
[CAS DataBase Reference]

2349-07-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanoic acid, 2-methyl-, hexyl ester(2349-07-7)
[EPA Substance Registry System]

2349-07-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

2
[RTECS ]

NQ4695000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isobutyric acid-->Hexyl methacrylate-->1-Hexanol
Hazard InformationBack Directory
[Description]

Hexyl isobutyrate has a powerful, somewhat harsh fruity aroma. May be synthesized by direct esterification of n-hexanol with isobutyric acid.
[Chemical Properties]

Hexyl isobutyrate has a powerful, somewhat harsh, fruity aroma.
[Occurrence]

Reported found in lavender oil, hop oil, sherry, apple, apricot, grapes, beer, white and sparkling wine, sherry, yellow passion fruit, plum, starfruit, quince, cherimoya, spineless monkey orange and Chinese quince peel.
[Uses]

Hexyl isobutyrate is used in GB 2760--1996 Temporarily permitted edible spices.
[Definition]

ChEBI: Hexyl 2-methylpropanoate is a carboxylic ester.
[Preparation]

By direct esterification of n-hexanol with isobutyric in sherry
[Aroma threshold values]

Detection: 6 to 26 ppb
[Taste threshold values]

Taste characteristics at 10 ppm: green, sweet, fruity, apple- and pear-like with banana and melon nuances
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

Hexyl isobutyrate(2349-07-7)1HNMR
Hexyl isobutyrate(2349-07-7)FT-IR
Hexyl isobutyrate(2349-07-7)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2349-07-7(sigmaaldrich)
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