ChemicalBook--->CAS DataBase List--->105-91-9

105-91-9

105-91-9 Structure

105-91-9 Structure
IdentificationBack Directory
[Name]

NERYL PROPIONATE
[CAS]

105-91-9
[Synonyms]

neryl
FEMA 2777
Nerylpropionat
nerylpropanoate
Neryl propanoate
NERYL PROPIONATE
propionicacid,nerylester
NERYL PROPIONATE, NATURAL
Propionic acid, neryl ester
3,7-dimethyl-,propionate,(z)-6-octadien-1-ol
3,7-dimethyl-,propanoate,(z)-6-octadien-1-ol
cis-3,7-dimethyl-2,6-octadien-1-ol,propionate
(Z)-3,7-Dimethyl-2,6-octadien-1-ol propanoate
6-octadien-1-ol,3,7-dimethyl-,propanoate,(Z)-2
cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate
propionicacid,3,7-dimethyl-2,6-octadien-1-ylester
2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (Z)-
2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2Z)-
Propionic acid, 3,7-dimethyl-2,6-octadien-1-yl ester
Propanoic acid (Z)-3,7-dimethyl-2,6-octadienyl ester
Propionic acid (Z)-3,7-dimethyl-2,6-octadienyl ester
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2Z)-
Propionic acid (2Z)-3,7-dimethyl-2,6-octadienyl ester
Propionic acid (Z)-3,7-dimethyl-2,6-octadien-1-yl ester
[EINECS(EC#)]

203-345-7
[Molecular Formula]

C13H22O2
[MDL Number]

MFCD00065448
[MOL File]

105-91-9.mol
[Molecular Weight]

210.31
Chemical PropertiesBack Directory
[Boiling point ]

289.85°C (rough estimate)
[density ]

0.9963 (rough estimate)
[FEMA ]

2777 | NERYL PROPIONATE
[refractive index ]

1.4210 (estimate)
[color ]

A clear colourless liquid.
[Odor]

at 100.00 %. fruity floral green jammy berry
[Odor Type]

fruity
[JECFA Number]

63
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9-
[InChIKey]

BYCHQEILESTMQU-XFXZXTDPSA-N
[SMILES]

O(C\C=C(/CCC=C(C)C)\C)C(=O)CC
[LogP]

4.64
[EPA Substance Registry System]

2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2Z)- (105-91-9)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975).
Hazard InformationBack Directory
[Description]

Neryl propionate has an ether-like, sweet and intense fruity odor reminiscent of jasmine and rose. It has a “jam-like” aroma of fruit preserves with a sweet taste suggestive of plum. May be prepared by esterification of nerol with propionic acid.
[Chemical Properties]

Neryl propionate has an ether-like, sweet and intense fruity odor reminiscent of jasmine and rose. The aroma has also been described as “jam-like.” It has a sweet taste suggestive of plum
[Occurrence]

Reported found in hop oil, bitter orange, lemon, kumquat, and bergamot peel oils, tea mushroom, cardamom and chervil
[Uses]

Neryl propionate finds a little use in Jasmin bases for its heavy-fruity character, blending very well with the natural "jam"-like character of a Jasmin "chassis"-type. It is also used in Citrus colognes, Rose, Violet, etc. and blends pleasantly with the Ionones, Undecanolide etc.
[Definition]

ChEBI: Neryl propionate is a carboxylic ester.
[Preparation]

By esterification of nerol with propionic acid
[Taste threshold values]

Taste characteristics at 15 ppm: green, fruity, floral, waxy, seedy and berry.
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