Basic information
- CAS
5026-65-3- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1- InChIKey
TYCUSKFOGZNIBO-UHFFFAOYSA-N- Molecular formula
- C23H38O5
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.27192431
Names & identifiers
- Preferred name
- Cetyl gallate
- IUPAC
- hexadecyl 3,4,5-trihydroxybenzoate
- English name
- Hexadecyl 3,4,5-trihydroxybenzoate
- Molecular formula
- C23H38O5
- Molecular weight
- 394.54
Names & synonyms
5026-65-3Cetyl gallateHexadecyl Gallaten-Hexadecyl-gallateGallic acid, hexadecyl esterX1J85N35ZONIPAGALLIN CEPROGALLIN CEPALMITYL GALLATEEINECS 225-715-7Benzoic acid, 3,4,5-trihydroxy-, hexadecyl ester1-HEXADECANOL, GALLATE
Show more names
N-HEXADECYL GALLATEHexadecylGallate>GALLIC ACID CETYL ESTERGallic Acid Hexadecyl EsterGALLIC ACID N-HEXADECYL ESTER3,4,5-Trihydroxybenzoic acid cetyl ester
GALLIC ACID, CETYL ESTERDTXSID00198254RefChem:575382DTXCID30120745Hexadecyl 3,4,5-trihydroxybenzoateGallic Acid Cetyl Estern-cetylgallateMFCD00016428
Database identifiers
- CAS
5026-65-3- PubChem CID
- 78729
- DTXSID
DTXSID00198254- ChEMBL
CHEMBL464675- UNII
- X1J85N35ZO
- EC Number
- 225-715-7
- Nikkaji
- J151.209I
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 375
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 100 °C · 100 °C
- Boiling point
- 562.6 · 562.6±45.0 °C(Predicted)
- Density
- 1.065 · 1.065±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 7.93 · 7.93±0.25(Predicted)
- color
- White to Light yellow
- CAS DataBase Reference
- 5026 · 5026-65-3(CAS DataBase Reference)
- FDA UNII
- 1 J85N35ZO · X1J85N35ZO
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzoic acid, 3,4,5-trihydroxy-, hexadecyl ester
Safety data
- hs_code
- 2918.29.7500
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers32 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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