Basic information
- CAS
78-37-5- Standard SMILES
C=CC(C)(CCC=C(C)C)OC(=O)C=Cc1ccccc1- InChIKey
DPFUEXLIKDHJNB-UHFFFAOYSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.17763
Names & identifiers
- Preferred name
- 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate
- IUPAC
- 3,7-dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate
- English name
- LINALYL CINNAMATE
- Molecular formula
- C19H24O2
- Molecular weight
- 284.39
Names & synonyms
3,7-dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoateSCHEMBL649390orb1705698CHEMBL3185111DPFUEXLIKDHJNB-UHFFFAOYSA-NDB-056305G84792FEMA 2641NSC 46163LinalylcinnamatLINALYL CINNAMATELinallyl Cinnamate
Show more names
cinnamicacid,linalylesterLINALYL CINNAMATE USP/EP/BP6-octadien-3-ol,3,7-dimethyl-cinnamate3,7-DiMethylocta-1,6-dien-3-yl cinnaMate1,5-dimethyl-1-vinyl-4-hexen-1-ocinnamate
Database identifiers
- CAS
78-37-5- PubChem CID
- 6533
- DTXSID
DTXSID4047410- ChEMBL
CHEMBL3185111
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 396 ℃ · 396℃
- Density
- 0.989 · 0.989
- FLAVIS Number
- 9.736 · 09.736 | Linalyl cinnamate
- refractive index
- 1.4709 · 1.4709 (estimate)
- FEMA
- 2641 · 2641 | LINALYL CINNAMATE
- Flash point
- 216 ℃ · 216℃
- storage temp.
- 2 · 2-8°C
- color
- An almost colourless oily or slightly viscous liquid
- Odor
- 100 % · at 100.00 %. sweet balsam lily neroli labdanum amber
- Odor Type
- balsamic
- JECFA Number
- 668 · 668
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 6.04 · 6.04
- CAS DataBase Reference
- 78 · 78-37-5
- Substances Added to Food (formerly EAFUS)
- LINALYL CINNAMATE
- FDA 21 CFR
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
- Toxicity
- The acute oral LD50 value in rats was reported as 9.96 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). The acute dermal LD50 value in rabbits exceeded 5 g/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
DescriptionLinalyl cinnamate has a sweet, persistent odor with soft floral notes. It is clearly balsamic. It has a slightly fruity flavor. May be synthesized from linalyl formate plus methylcinnamate and sodium linalool: by "Roche" method from dehydrolinalool and cinnamic acid via the dehydro ester, which is hydrolyzed to the subject compound.
OccurrenceHas apparently not been reported to occur in nature
UsesIt is used as a fragrance in soaps, detergents, creams, lotions, and perfumes.
Preparation methods
PreparationFrom linalyl formate plus methylcinnamate and sodium linalool; by “Roche” method from dehydrolinalool and cinnamic acid via the dehydro ester, which is hydrolyzed to the subject compound.
Upstream & downstream products
Upstream raw materials
Suppliers13 total
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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