Basic information
- CAS
1208-65-7- Standard SMILES
CC(C)(C)c1ccc(C=CC(=O)O)cc1- InChIKey
QFSPZKLJQZSLQU-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 4-Tert-butylcinnamic acid
- IUPAC
- 3-(4-tert-butylphenyl)prop-2-enoic acid
- English name
- 4-(tert-Butyl)cinnamic acid
- Molecular formula
- C13H16O2
- Molecular weight
- 204.26
Names & synonyms
3-(4-tert-butylphenyl)prop-2-enoic Acid4-tert-butylcinnamic acidp-t-butylcinnamic acid4-t-butlycinnamic acid4-t-butylcinnamic acidSCHEMBL8187423-(4-t-butylphenyl)acrylic acidQFSPZKLJQZSLQU-UHFFFAOYSA-NDTXSID9013123463-(4-t-butyl-phenyl)-acrylic acid3-(4-tert-butyl-phenyl)-acrylic acidDB-041585
Show more names
AURORA 8635AKOS BBS-00007825ButylcinnamicacidRARECHEM BK HD C009TIMTEC-BB SBB0023744-tert-Butyl-zimtsSreOTAVA-BB BB7013191649LABOTEST-BB LT00233194p-tert-ButylcinnaMic Acid4-tert-Butylcinnamicacid98%
Database identifiers
- CAS
1208-65-7- PubChem CID
- 724838
- DTXSID
DTXSID901312346- EC Number
- 149-960-3
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 198 · 198-200°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Chloroform, Dichloromethane
- form
- Solid
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 1208 · 1208-65-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety data
- hs_code
- 2916399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers42 total
苏州哈诗维生物科技有限公司13951186658 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
天津林宸科技有限公司
Related reactions
19 records
Compound notes
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