Basic information
- CAS
5467-53-8- Standard SMILES
CCc1ccc(CCCC(=O)O)cc1- InChIKey
IDXWSFCOUZYCMF-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 4-(4-Ethylphenyl)butanoic acid
- IUPAC
- 4-(4-ethylphenyl)butanoic acid
- English name
- 4-(4-ethylphenyl)butanoic acid
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
4-(4-ethylphenyl)butanoic acidDTXSID80282802RefChem:514165DTXCID60233953996-502-05467-53-84-Ethylbenzenebutanoic acidMFCD01462080NSC28058SCHEMBL809734-(4-ethylphenyl)butanoicacid4-(4-Ethylphenyl)-butanoic acid
Show more names
OTAVA-BB 1043352UKRORGSYN-BB BBV-1831784-(p-Ethylphenyl)butyric acidBenzenebutanoic acid, 4-ethyl-4-Ethylbenzenebutanoic acid 97%4-(4-ethylphenyl)butanoic acid(SALTDATA: FREE)
IDXWSFCOUZYCMF-UHFFFAOYSA-NFAA46753NSC-28058AKOS0003451414-(4-ETHYLPHENYL)BUTYRIC ACIDTS-00263DB-003962CS-0152505
Database identifiers
- CAS
5467-53-8- PubChem CID
- 231606
- DTXSID
DTXSID80282802- EC Number
- 996-502-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 74 ℃ · 74℃
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HS Code
- 2916399090 · 2916399090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers21 total
苏州哈诗维生物科技有限公司13951186658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
上海锲诺医药科技有限公司021-021-51557188 15901710861 · [email protected]
Related reactions
2 records
Compound notes
Loading…