Basic information
- CAS
103-53-7- Standard SMILES
O=C(C=Cc1ccccc1)OCCc1ccccc1- InChIKey
MJQVZIANGRDJBT-UHFFFAOYSA-N- Molecular formula
- C17H16O2
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.11502975
Overview
2-phenylethyl 3-phenylprop-2-enoate has been reported in Alnus firma, Friesodielsia velutina, and other organisms with data available.
Names & identifiers
- Preferred name
- Cinnamic Acid Phenethyl Ester
- IUPAC
- 2-phenylethyl 3-phenylprop-2-enoate
- English name
- Phenethyl cinnamate
- Molecular formula
- C17H16O2
- Molecular weight
- 252.31
Names & synonyms
Cinnamic Acid Phenethyl EsterRefChem:1081742Phenethyl 3-PhenylacrylateSCHEMBL43631CHEMBL3184894Cinnamic Acid 2-Phenylethyl EsterAKOS028108456SY051978P2007PHENYLETHYL CINNAMATEFEMA 2863PHENETHYL CINNAMATE
Show more names
Phenylethylcinnamat2-Phenethyl cinnamatePhenethyl cinnamate99%2-phenylethyl cinnamatebeta-phenethylcinnamateB-PHENYLETHYL CINNAMATEbeta-Phenethyl cinnamate
Database identifiers
- CAS
103-53-7- PubChem CID
- 7659
- DTXSID
DTXSID1047605- ChEMBL
CHEMBL3184894
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 54 · 54-56 °C(lit.)
- Boiling point
- 355.49 °C · 355.49°C (rough estimate)
- Density
- 1.0832 · 1.0832 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- refractive index
- 1.57 · 1.5700 (estimate)
- FEMA
- 2863 · 2863 | PHENETHYL CINNAMATE
- FLAVIS Number
- 9.743 · 09.743 | Phenethyl cinnamate
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Insoluble in water, slightly soluble in cold alcohol, soluble in hot alcohol and oils.
- form
- crystals or amorphous powder
- color
- White
- Odor
- 100 % · at 100.00 %. rich heavy balsam rose foliage
- Odor Type
- balsamic
- biological source
- synthetic
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
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GE0405000
- hs_code
- 38220090
- Toxicity
- LD50 orl-rat: 5 g/kg FCTXAV 16,637,78
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesPhenethyl cinnamate is used quite frequently in perfume compositions in spite of its poor volubility, which is hardly a problem at concentrations below 5%. As a background note and part of a fixative base, this material finds its way into Muguet, Rose, Lilac, Sweet Pea, Gardenia, Magnolia, Peony, Hyacinth and many types of Oriental fragrance. n flavors, traces are used for fixation of fruity-jam-like notes, e. g. in Plum, Prune, Cherry and various fruit complexes. The concentration will be about 0.1 to 3 ppm in the finished product.
Preparation methods
PreparationFrom phenylethyl alcohol and methylcinnamate by alcohol interchange esterification.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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