ChemicalBook--->CAS DataBase List--->629-33-4

629-33-4

629-33-4 Structure

629-33-4 Structure
IdentificationMore
[Name]

HEXYL FORMATE
[CAS]

629-33-4
[Synonyms]

FEMA 2570
HEXYL FORMATE
N-HEXYL FORMATE
n-Hexyl methanoate
Formicacid,hexylester
formicacidhexylester
Hexylmethanoate
Formic acid n-hexyl ester
HEXYL FORMATE 97+%
n-Hexylformate,97%
Hexylformiat
[EINECS(EC#)]

211-087-1
[Molecular Formula]

C7H14O2
[MDL Number]

MFCD00046146
[Molecular Weight]

130.18
[MOL File]

629-33-4.mol
Chemical PropertiesBack Directory
[Melting point ]

−63 °C(lit.)
[Boiling point ]

155-156 °C(lit.)
[density ]

0.879 g/mL at 25 °C(lit.)
[FEMA ]

2570
[refractive index ]

n20/D 1.407(lit.)
[Fp ]

118 °F
[solubility ]

Slightly soluble in water, soluble in alcohol and Propylene glycol, miscible with oils.
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.89
[Odor]

at 10.00 % in dipropylene glycol. apple unripe plum banana sweet
[biological source]

synthetic
[Odor Type]

fruity
[Thermal Conductivity]

0.143 W/(m·K) at 25 ℃
[JECFA Number]

120
[BRN ]

1701629
[Henry's Law Constant]

1.0×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004)
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3
[InChIKey]

OUGPMNMLWKSBRI-UHFFFAOYSA-N
[SMILES]

[H]C(=O)OCCCCCC
[LogP]

2.42
[CAS DataBase Reference]

629-33-4(CAS DataBase Reference)
[EPA Substance Registry System]

Formic acid, hexyl ester (629-33-4)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P370+P378
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

2
[RTECS ]

LQ8595000
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29151300
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

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

1-Hexanol-->Formic acid isopropyl ester
[Preparation Products]

2-ethyl-1,3-dioxolane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

n-hexyl formate(629-33-4).msds
Hazard InformationBack Directory
[Description]

Hexyl formate has a fruity, apple-like or unripe-plum odor and a corresponding sweet taste. May be synthesized by prolonged boiling of n-hexyl alcohol and formic acid, or by azeotropic distillation of the alcohol and isopropyl formate.
[Chemical Properties]

Colorless liquid
[Chemical Properties]

Hexyl formate has a fruity, apple-like or unripe-plum odor; corresponding sweet taste.
[Occurrence]

Reported found in peach, grape, apple, strawberry, tea, plum, licorice, corn oil, wax gourd and black choke cherry
[Uses]

Hexyl formate is used mostly in flavor compositions. Jts application in perfumes - if any - is limited to traces in topnote compositions and in reconstructed essential oils (Geranium, Lavender, etc.). Hexyl formate is used quite widely in fruit flavors for imitation Apple, Cherry, Gooseberry, Umon, Orange, Pineapple, Plum, Strawberry, Raspbemy, etc. and in various fruit complexes, Tutti-frutti compositions, etc. The concentration used is normally about 10 to 50 ppm in the finished product.
[Definition]

ChEBI: Hexyl formate is a carboxylic ester.
[Preparation]

By prolonged boiling of n-hexyl alcohol and formic acid, or by azeotropic distillation of the alcohol and isopropyl formate
Spectrum DetailBack Directory
[Spectrum Detail]

HEXYL FORMATE(629-33-4)MS
HEXYL FORMATE(629-33-4)1HNMR
HEXYL FORMATE(629-33-4)13CNMR
HEXYL FORMATE(629-33-4)IR1
HEXYL FORMATE(629-33-4)IR2
HEXYL FORMATE(629-33-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

n-Hexyl formate, 97%(629-33-4)
[Sigma Aldrich]

629-33-4(sigmaaldrich)
[TCI AMERICA]

Hexyl Formate,>98.0%(GC)(629-33-4)
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