Basic information
- CAS
7780-06-5- Standard SMILES
CC(C)OC(=O)C=Cc1ccccc1- InChIKey
RGACABDFLVLVCT-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Overview
Isopropyl cinnamate has been reported in Kaempferia galanga with data available.
Names & identifiers
- Preferred name
- Cinnamic Acid Isopropyl Ester
- IUPAC
- propan-2-yl 3-phenylprop-2-enoate
- English name
- Isopropyl cinnamate, 98
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
Cinnamic Acid Isopropyl Esterpropan-2-yl 3-phenylprop-2-enoateRefChem:1081741isopropyl 3-phenylprop-2-enoateIsopropylcinnamateIsopropyl cinnamate, 98%SCHEMBL133105RGACABDFLVLVCT-UHFFFAOYSA-NAKOS017265329SB66426DB-002762C1779
Show more names
Isopropyl cinnamateISOPROIsopropylester kyseliny skoricoveIsopropylcinnamatISPROPYLCINNAMATEIsopropyl ciamateIsopropyl cinmateISOPROPYL CINMATE, 98Cinnamic acid isopropyl
Database identifiers
- CAS
7780-06-5- PubChem CID
- 24521
- DTXSID
DTXSID3064809
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 39 °C · 39 °C
- Boiling point
- 273 °C · 273 °C(lit.)
- Density
- 1.02 g/mL · 1.02 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.546(lit.)
- FEMA
- 2939 · 2939 | ISOPROPYL CINNAMATE
- FLAVIS Number
- 9.732 · 09.732 | Isopropyl cinnamate
- Flash point
- 230 °F · >230 °F
- storage temp.
- Store at room temperature
- form
- Liquid
- color
- Clear yellow
- Odor
- 100 % · at 100.00 %. balsam fruity tropical cinnamyl berry strawberry peach
- Odor Type
- balsamic
- biological source
- synthetic
- JECFA Number
- 661 · 661
- BRN
- 1908938 · 1908938
- 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, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GD9625000
- hs_code
- 29163990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-22
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionIsopropyl cinnamate has a balsamic, sweet, dry amber-like odor and a fresh, fruity flavor. May be synthesized by esterification of isopropanol with cinnamic acid.
UsesIsopropyl cinnamate can be used as a perfuming agent in cosmetics and as a flavoring ingredient in food industries.
General DescriptionIsopropyl cinnamate can be used as a flavoring and fragrance ingredient. It is one of the key constituents of the essential oil of Fortunella crassifolia peel. Isopropyl cinnamate shows promising potential as a mosquito repellant and as antifeedant for the pine weevil.
Preparation methods
PreparationBy esterification of isopropanol with cinnamic acid
Suppliers100 total
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
4 records
Compound notes
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