ChemicalBook--->CAS DataBase List--->1731-81-3

1731-81-3

1731-81-3 Structure

1731-81-3 Structure
IdentificationBack Directory
[Name]

UNDECANYL ACETATE
[CAS]

1731-81-3
[Synonyms]

Undecylacetat
UNDECYL ACETATE
undecyl ethanoate
n-undecyl acetate
UNDECANYL ACETATE
1-undecanol,acetate
1-Undecanol, 1-acetate
Acetic acid undecyl ester
[EINECS(EC#)]

217-051-1
[Molecular Formula]

C13H26O2
[MDL Number]

MFCD00056189
[MOL File]

1731-81-3.mol
[Molecular Weight]

214.34
Chemical PropertiesBack Directory
[Melting point ]

-6.8°C
[Boiling point ]

254.49°C (estimate)
[density ]

0.8629 (estimate)
[refractive index ]

1.4222 (estimate)
[storage temp. ]

2-8°C
[Odor]

at 100.00 %. oily clean waxy
[Odor Type]

clean
[Water Solubility ]

Practically insoluble in water
[InChI]

InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-12H2,1-2H3
[InChIKey]

CKQGCFFDQIFZFA-UHFFFAOYSA-N
[SMILES]

C(OC(=O)C)CCCCCCCCCC
[LogP]

5.371 (est)
Hazard InformationBack Directory
[Chemical Properties]

Colorless oily liquid. Sp. Gr. 0.86. Practically insoluble in water, soluble in alcohol and oils.Mild, oily-ethereal, soft-fatty, rosy odor of considerable tenacity.
[Uses]

Undecylacetate is prepared by direct esterification under azeotropic conditions with n-Undecanol and Acetic acid.
[Uses]

Undecylacetate is used in amounts of a few percent as refreshing note in topnotes, mainly for Rose and Citrus type fragrances. The quality of the ester is very important, since traces of the parent components from the manufacture can ruin the delicately mild odor of this ester.
[Definition]

ChEBI: Undecyl acetate is a carboxylic ester.
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