ChemicalBook--->CAS DataBase List--->6378-65-0

6378-65-0

6378-65-0 Structure

6378-65-0 Structure
IdentificationMore
[Name]

Hexyl hexanoate
[CAS]

6378-65-0
[Synonyms]

FEMA 2572
HEXYL CAPROATE
HEXYL HEXANOATE
HEXYL HEXOATE
N-CAPROIC ACID N-HEXYL ESTER
N-HEXANOIC ACID N-HEXYL ESTER
N-HEXYL CAPROATE
N-HEXYL HEXANOATE
N-HEXYL N-CAPROATE
N-HEXYL N-HEXANOATE
Hexanoicacid,hexylester
hexanoicacidhexylester
hexyl n-hexanoate
HEXYL HEXANOATE 97+%
HEXYLCAPRONAT
Hexylhexanoat
Caproic Acid Hexyl Ester
HEXYL CAPROATE, NATURAL
1-Hexanol hexanoate
5-Methylpentanoic acid hexyl ester
[EINECS(EC#)]

228-952-4
[Molecular Formula]

C12H24O2
[MDL Number]

MFCD00053808
[Molecular Weight]

200.32
[MOL File]

6378-65-0.mol
Chemical PropertiesBack Directory
[Melting point ]

−55 °C(lit.)
[Boiling point ]

245-246 °C(lit.)
[density ]

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

2.4Pa at 20℃
[FEMA ]

2572
[refractive index ]

n20/D 1.424(lit.)
[Fp ]

211 °F
[form ]

neat
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in dipropylene glycol. herbal fresh cut grass vegetable fruity
[Odor Type]

green
[Water Solubility ]

951μg/L at 20℃
[JECFA Number]

164
[LogP]

5.7 at 20℃
[CAS DataBase Reference]

6378-65-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Hexanoic acid, hexyl ester(6378-65-0)
[EPA Substance Registry System]

6378-65-0(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

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

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 .
[WGK Germany ]

2
[RTECS ]

MO8385000
[HS Code ]

29159000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Cupric oxide-->1-Hexanol-->URANIUM(VI) OXIDE-->FEMA 2811-->N-OCTYL CAPROATE-->1-Octanol
[Preparation Products]

DIHEXYL ETHER-->N-CAPROIC ACID ISOPROPYL ESTER
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Hexyl hexanoate(6378-65-0).msds
Hazard InformationBack Directory
[Description]

Hexyl hexanoate has a herbaceous odor. May be synthesized by passing n-hexyl alcohol over CuO + UO3 catalyst at 220 - 310°C, or by treating n-hexyl alcohol with Ca(Br03)2 and diluted aqueous HBr at 30°C.
[Chemical Properties]

Hexyl hexanoate has an herbaceous odor
[Chemical Properties]

Oily liquid
[Occurrence]

Reported found in apple, apricot, banana, sweet cherry, orange peel oil, guava, grapes, melon, papaya, strawberry fruit and jam, tomato, Parmesan cheese, rum, cider, sherry, grape wine, black tea, passion fruit, plum, mushroom, starfruit, quince, cherimoya, mountain papaya, black choke cherry, spineless monkey orange, Chinese quince peel and hog plum (Spondias mombins L.)
[Definition]

ChEBI: Hexyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with hexan-1-ol. It is a constituent found in passion fruit, apples, strawberries and wine. It has a role as a plant metabolite, a volatile oil component, a flavouring agent and a fragrance. It is functionally related to a hexan-1-ol.
[Preparation]

By passing n-hexyl alcohol over CuO + UO3 catalyst at 220 to 310°C, or by treating n-hexyl alcohol with Ca(BrO3)2 and diluted aqueous HBr at 30°C
[Aroma threshold values]

Detection: 6.4 ppm
[Taste threshold values]

Taste characteristics at 40 ppm: sweet, fruity and green with tropical notes.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 43, p. 371, 1978 DOI: 10.1021/jo00396a054
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

Hexyl hexanoate(6378-65-0)MS
Hexyl hexanoate(6378-65-0)1HNMR
Hexyl hexanoate(6378-65-0)13CNMR
Hexyl hexanoate(6378-65-0)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

6378-65-0(sigmaaldrich)
[TCI AMERICA]

Hexyl Hexanoate,>98.0%(GC)(6378-65-0)
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