Allyl hexanoate

HCID 31266

Completing data — usually done within a minute

Basic information

CAS
123-68-2
Standard SMILES
C=CCOC(=O)CCCCC
InChIKey
RCSBILYQLVXLJG-UHFFFAOYSA-N
Molecular formula
C9H16O2
Average molar mass
156.225 g/mol
Monoisotopic mass
156.11502975

Names & identifiers

Preferred name
Allyl hexanoate
IUPAC
Prop-2-en-1-yl hexanoate
English name
Allyl hexanoate
Molecular formula
C9H16O2
Molecular weight
156.22

Names & synonyms

ALLYL CAPROATEFEMA 20322-PROPENYL HEXANOATEallyle2-Propenyl n-hexanoateALLYLCAPRONATAllylhexanoatAllylhexylateAlly CaproateAllylcapronate

Database identifiers

CAS
123-68-2
PubChem CID
31266
DTXSID
DTXSID1047653
ChEMBL
CHEMBL2229585
ChEBI
CHEBI:171771
UNII
3VH84A363D
EC Number
204-642-4
Nikkaji
J36.964K

Properties

Physicochemical properties

Melting point
-57.45 °C · -57.45°C (estimate)
Boiling point
75 · 75-76 °C/15 mmHg (lit.)
Density
0.887 g/mL · 0.887 g/mL at 25 °C (lit.)
vapor pressure
2.69 hPa · 2.69hPa at 25℃
FEMA
2032 · 2032 | ALLYL HEXANOATE
refractive index
20 · n20/D 1.424(lit.)

Safety & regulation

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
rtecs
MO6125000
ridadr
UN 2810 6.1/PG 3
hs_code
29159080

Chemistry & industry

Applications · 4 items

Uses1. Allyl hexanoate is Used for the preparation of pineapple and other fruit flavors.2. China provides that allyl hexanoate is the spices temporally allowed to use, which is commonly used in the modulation of food spices and tobacco spices with the flavor of strawberry, apricot, peach, sweet orange, pineapple, apple and other fruit. The use amount of allyl hexanoate is according to the normal production needs, such as 210 mg/kg in chewing gum, 32mg/kg in confectionery, 25 mg/kg in baked goods and 11 mg/kg in cold drinks.3. Allyl caproate finds use in perfumes as a part of fruity top notes in combination with green mossy notes. it may form a characteristic part of the fragrance. It also tends to round off the Aldehyde notes in combination with styrallyl esters. it has found extensive use in apple, apricot, orange, peach, pineapple, rum, strawberry, tutti-frutti, etc.4. Widely used in the preparation of food flavors, spices, tobacco flavors and pineapple and other fruit flavors, and also used as an organic synthesis of intermediates.

OccurrenceAllyl hexanoate has also been reported to occur naturally in baked potato, mushroom and pineapples.

UsesAllyl Hexanoate is a liquid flavoring agent with a strong pineapple odor and pale yellow color. it is practically insoluble in propylene glycol and miscible with alcohol, most fixed oils, and mineral oil. it is obtained by chemical synthesis. it can be used alone or in com- bination with other flavoring substances or adjuvants. it is also termed allyl caproate.

General DescriptionAllyl hexanoate is a volatile flavoring compound with a pineapple flavor. It is naturally found in pineapple, baked potatoes and mushrooms. Allyl hexanoate is used as a flavoring agent in chewing gum, candies and baked goods.

Preparation methods

PreparationAllyl hexanoate is directly esterified by hexanoic acid and allyl alcohol under the catalysis of sulfuric acid, and then neutralized, washed with water and rectified to obtain the finished product.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
巨野众悦香料有限公司0530-8599699 13701896116 · [email protected]

Additional notes

DefinitionChEBI: 2-Propenyl hexanoate is a fatty acid ester.

Related reactions

2 records

Compound notes

Loading…