| Identification | More | [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 Properties | Back 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
| [solubility ]
Almost insoluble in water, soluble in alcohol and Propylene glycol, miscible with oils. | [form ]
neat | [color ]
Colorless to Almost colorless | [Specific Gravity]
0.87 | [Odor]
at 10.00 % in dipropylene glycol. herbal fresh cut grass vegetable fruity | [biological source]
synthetic | [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 Data | Back 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 |
| Hazard Information | Back 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.) | [Uses]
Hexyl hexanoate is probably more often used in
flavor compositions, mainly in fruit flavors
to add freshness and a touch of green note
to various berry and fruit imitations flavors.
It gives good effects in Strawbemy, a flavor in
which the Hexyl family plays an important
role. Concentrations are usually as low as 2 to
10 ppm in the finished product. Approved for use in food flavors by the
American F.R. | [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 |
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