Basic information
- CAS
36207-13-3- Standard SMILES
CCOC(=O)c1ccc(CC)cc1- InChIKey
ZPUKPAPWEWUPTC-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- Ethyl 4-ethylbenzoate
- IUPAC
- ethyl 4-ethylbenzoate
- English name
- 4-Ethylbenzoic acid ethyl ester
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
Ethyl 4-ethylbenzoate36207-13-34-Ethylbenzoic acid, ethyl esterDTXSID00334458RefChem:343964DTXCID10285548ZPUKPAPWEWUPTC-UHFFFAOYSA-N4-ETHYLBENZOIC ACID ETHYL ESTERBenzoic acid, 4-ethyl-,ethyl esterMFCD002387134-ethyl-benzoic acid ethyl esterEthyl4-ethylbenzoate
Show more names
RARECHEM AL BI 05414-ETHYLBENZOIC ACIC ETHYL ESTERBenzoic acid, 4-ethyl-, ethyl ester
ethyl p-hydrobenzoateEthyl 4-ethylbenzoate #SCHEMBL128189SCHEMBL128190p-Ethylbenzoic acid ethyl esterSCHEMBL7216243AKOS008948081FM71163
Database identifiers
- CAS
36207-13-3- PubChem CID
- 520781
- DTXSID
DTXSID00334458- Nikkaji
- J345.692G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
Kovats Retention Index1393
Physicochemical properties
- Boiling point
- 129 · 129-130 °C(Press: 15 Torr)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
禹州焓碳医药科技有限公司19963477321; 19963477321 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
山东碳氢生物化工有限公司15508610597 15508610597 · [email protected]
Related reactions
2 records
Compound notes
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