Basic information
- CAS
87-29-6- Standard SMILES
Nc1ccccc1C(=O)OCC=Cc1ccccc1- InChIKey
GABQNAFEZZDSCM-UHFFFAOYSA-N- Molecular formula
- C16H15NO2
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.11027872
Names & identifiers
- Preferred name
- Anthranilic acid cinnamyl ester
- IUPAC
- 3-phenylprop-2-enyl 2-aminobenzoate
- English name
- Anthranilic acid cinnamyl ester
- Molecular formula
- C16H15NO2
- Molecular weight
- 253.3
Names & synonyms
Anthranilic acid cinnamyl esterSCHEMBL8269563-phenylprop-2-en-1-yl 2-aminobenzoateCHEMBL3183749Q63088171CINNAMYL ANTHRANILATENCI-C-03510LABOTEST-BB LT00454690cinnamyl2-aminobenzoatecinnamylo-aminobenzoateAnthranilic acid cinnamylcinnamylalcohol,anthranilate
Show more names
3-PHENYL-2-PROPENYL ANTHRANILATEcinnamylesterkyselinyanthranilove
Database identifiers
- CAS
87-29-6- PubChem CID
- 6881
- DTXSID
DTXSID3020330- ChEMBL
CHEMBL3183749
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 64 · 64-66°C
- Boiling point
- 322 °C · 322°C
- Density
- 1 · 1,18 g/cm3
- refractive index
- 1.6 · 1.6000 (estimate)
- Flash point
- 322 °C · 322°C
- pka
- 2.15 · 2.15±0.10(Predicted)
- color
- Reddish-yellow powder
- Odor
- balsamic odor
- Odor Type
- balsamic
- Water Solubility
- 0.23 mg/L · 0.23mg/L(temperature not stated)
- Merck
- 14 · 14,2303
- BRN
- 2733435 · 2733435
- LogP
- 4.4 · 4.40
- Toxicology and Carcinogenesis
- Bioassay of Cinnamyl Anthranilate for Possible Carcinogenicity (CASRN 87-29-6)
- Substances Added to Food (formerly EAFUS)
- CINNAMYL ANTHRANILATE--PROHIBITED
- FDA 21 CFR
- 189.113 · 189.113
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
- rtecs
- CB2725000
- Toxicity
- LD50 orl-rat: 5000 mg/kg FCTXAV 13,681,75
- safety_code
- 22-24/25
- Hazardous Substances Data
- 87-29-6(Hazardous Substances Data)
Chemistry & industry
Applications
UsesCinnamyl Anthranilate is a flavoring agent that is a powder which may be red or yellow. It has an odor resembling anthranilates, fruity and characteristically balsamic. It is insoluble in water, and soluble in alcohol, chloroform, and ether. It is obtained by chemical synthesis.
UsesFlavoring agent in food; fragrance in soaps and perfumes.
General DescriptionBrownish or reddish-yellow powder or light yellow solid with a fruity taste.
Preparation methods
PreparationBy esterification of anthranilic acid with cinnamyl alcohol.
Upstream & downstream products
Upstream raw materials
Suppliers10 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…