Prop-2-enyl 3-phenylprop-2-enoate
Basic information
- CAS
1866-31-5- Standard SMILES
C=CCOC(=O)C=Cc1ccccc1- InChIKey
KCMITHMNVLRGJU-UHFFFAOYSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Names & identifiers
- Preferred name
- Prop-2-enyl 3-phenylprop-2-enoate
- IUPAC
- prop-2-enyl 3-phenylprop-2-enoate
- English name
- ALLYL CINNAMATE
- Molecular formula
- C12H12O2
- Molecular weight
- 188.22
Names & synonyms
Allyl (E)-3-phenylprop-2-enoateprop-2-enyl 3-phenylprop-2-enoateallyl 3-phenylprop-2-enoateALLYLCINNAMATESCHEMBL45457AKOS028110007prop-2-en-1-yl 3-phenylprop-2-enoateDB-003582Nsc20972FEMA 2022Wln: 1U2ov1U1rALLYL CINNAMATE
Show more names
propenylcinnamatePropenyl cinnamateallyl (E)-cinnamateAllyl CinnaMate allyl3-phenylacrylateALLYL CINNAMATE, 99+%
Database identifiers
- CAS
1866-31-5- PubChem CID
- 15834
- DTXSID
DTXSID8047509
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 150 · 150-152 °C15 mm Hg(lit.)
- Density
- 1.053 g/mL · 1.053 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.566(lit.)
- FEMA
- 2022 · 2022 | ALLYL CINNAMATE
- FLAVIS Number
- 9.741 · 09.741 | Allyl cinnamate
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Insoluble in water, soluble in alcohol and oils, almost insoluble in Propylene glycol.
- color
- A colourless or pale straw-coloured liquid.
- Odor
- 100 % · at 100.00 %. fruity balsamic pineapple spicy cinnamyl plum apricot peach
- Odor Type
- fruity
- biological source
- synthetic
- JECFA Number
- 19 · 19
- Major Application
- flavors and fragrances
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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GD8050000
- hs_code
- 29163100
- Toxicity
- The acute oral LD50 value in rats was reported as 1.52 g/kg and the acute dermal LD50 value in rabbits as less than 5 g/kg(Levenstein, 1975).
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
DescriptionA colorless liquid with peachor apricot-like aroma. It is used as a flavoring agent or adjuvant.
OccurrenceHas apparently not been reported to occur in nature.
UsesAllyl Cinnamate is a synthetic flavoring agent that is a fairly stable, hazy, colorless to light yellow colored liquid of cherry odor. it is used for its cherry note in flavors and has application in baked goods and candies at 1–2 ppm.
Preparation methods
PreparationBy esterification of cinnamic acid with allyl alcohol in the presence of concentrated H2SO4.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Allyl cinnamate is a cinnamate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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