Basic information
- CAS
10482-79-8- Standard SMILES
CC(C)=CCCC(C)CCOC(=O)/C=C/c1ccccc1- InChIKey
KMXKQELDKDGFRN-OUKQBFOZSA-N- Molecular formula
- C19H26O2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.19328007
Overview
Citronellyl cinnamate is a carboxylic ester.
Names & identifiers
- Preferred name
- Citronellyl cinnamate
- IUPAC
- 3,7-dimethyloct-6-enyl (E)-3-phenylprop-2-enoate
- English name
- CITRONELLYL CINNAMATE
- Molecular formula
- C19H26O2
- Molecular weight
- 286.41
Names & synonyms
Citronellyl cinnamate3,7-dimethyloct-6-en-1-yl (2E)-3-phenylprop-2-enoateRefChem:126597233-989-43,7-Dimethyloct-6-en-1-yl cinnamate10482-79-82-Propenoic acid, 3-phenyl-, 3,7-dimethyl-6-octenyl ester3,7-dimethyloct-6-enyl (E)-3-phenylprop-2-enoate2-Propenoic acid, 3-phenyl-, 3,7-dimethyl-6-octen-1-yl esterEINECS 233-989-4SCHEMBL3504902CHEMBL2271264
Show more names
KMXKQELDKDGFRN-UHFFFAOYSA-N3 7-DIMETHYL-6-OCTEN-1-YL CINNAMATE3,7-Dimethyl-6-octen-1-ol cinnamateCinnamic acid 3,7-dimethyl-6-octenyl ester3-Phenylpropenoic acid 3,7-dimethyl-6-octenyl ester2-propenoicacid,3-phenyl-,3,7-dimethyl-6-octenylester3-Phenyl-2-propenoic acid 3,7-dimethyl-6-octenyl ester3-Phenyl-2-propenoic acid 3,7-dimethyl-6-octen-1-yl ester
CHEBI:196588KMXKQELDKDGFRN-OUKQBFOZSA-NLMFA07010815WE 19:6
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Boiling Point380.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 401 ℃ · 401℃
- Density
- 0.978 · 0.978
- Flash point
- 219 ℃ · 219℃
- storage temp.
- 2 · 2-8°C
- solubility
- Insoluble in water, soluble in alcohol and perfume oils
- color
- Colorless oily liquid
- Odor
- 100 % · at 100.00 %. palmarosa sweet mellow red rose
- Odor Type
- floral
- LogP
- 6.387 · 6.387 (est)
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 3-phenyl-, 3,7-dimethyl-6-octenyl ester (10482-79-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 3-phenyl-, 3,7-dimethyl-6-octen-1-yl ester: INACTIVE
Applications
UsesCitronellyl cinnamate is occasionally used and has been suggested as a blender for Hydroxycitronellal, Bucinal, Cyclamal, etc. in delicate floral fragrances. It will also act as a fixative, but its odor contribution is almost nil. It has a tendency to polymerize, whereby it turns absolutely odorless (and cloudy-viscous), depending upon the method of preparation and added inhibitors.
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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