Basic information
- CAS
103-56-0- Standard SMILES
CCC(=O)OCC=Cc1ccccc1- InChIKey
KGDJMNKPBUNHGY-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Overview
See also: Cinnamyl propionate (annotation moved to).
Names & identifiers
- Preferred name
- 3-Phenyl-2-propenyl propanoate
- IUPAC
- 3-phenylprop-2-enyl propanoate
- English name
- Cinnamyl propionate
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
DTXSID10476073-Phenyl-2-propen-1-yl propionate3-Phenyl-2-propenyl propanoateCinnamyl propanoate3-phenylallyl propanoate(E)-cinnamyl propionateSCHEMBL158883orb3029163CHEMBL3560725AKOS025243169DB-040465DB-254228
Show more names
FEMA 23013-PHENYL-2-PROPEN-1-YL PROPANOATECinnamylpropionatCynnamylpropionateCINNAMYL PROPIONATECINNAMYLPROPRIONATEGui propionate esterCinnamyl n-propionateCinnamyl alcohol, proCinnamyl Propionate >
Q20670641
Database identifiers
- CAS
103-56-0- PubChem CID
- 7661
- DTXSID
DTXSID1047607- ChEMBL
CHEMBL3560725
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 190
Physicochemical properties
- Boiling point
- 289 °C · 289 °C(lit.)
- Density
- 1.032 g/mL · 1.032 g/mL at 25 °C(lit.)
- vapor pressure
- 0.983 Pa · 0.983Pa at 25℃
- FEMA
- 2301 · 2301 | CINNAMYL PROPIONATE
- refractive index
- 20 · n20/D 1.535(lit.)
- FLAVIS Number
- 9.133 · 09.133 | Cinnamyl propionate
- Flash point
- 230 °F · >230 °F
- Odor
- 100 % · at 100.00 %. sweet spicy fruity balsam grape
- Odor Type
- spicy
- Water Solubility
- 69 mg/L · 69mg/L at 25℃
- JECFA Number
- 651 · 651
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.34 at · 3.34 at 25℃
- CAS DataBase Reference
- 103 · 103-56-0(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
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
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GE2360000
- hs_code
- 29155090
- Toxicity
- The acute oral LD50 value in rats was reported as 3.4 g/kg (3.2-3.6 g/kg) (Moreno, 1973). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Moreno, 1973).
- risk_code
- 36/37/38-38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-37-45-44
- Hazard statements
- H227-H303
- REACH Registrations
- Inactive
- Precautionary statements
- P270-P280-P301+P312-P370+P378r-P403+P235-P501c
Chemistry & industry
Applications
UsesSpices. Primarily used in the formulation of grape, raspberry, currant, and strawberry flavorings.
OccurrenceHa s apparently not been reported to occur in nature.
Preparation methods
PreparationBy direct esterification of cinnamic alcohol with propionic acid under azeotropic conditions, or with propionic anhydride (Arctander, 1969).
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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