Basic information
- CAS
5669-17-0- Standard SMILES
CCC(CC(=O)O)c1ccccc1- InChIKey
NJEKDDOCPZKREE-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- beta-Ethylbenzenepropanoic acid
- IUPAC
- 3-phenylpentanoic acid
- English name
- 3-Phenylpentanoic acid
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
3-PHENYLPENTANOIC ACIDbeta-Ethylbenzenepropanoic acidDTXSID401308843RefChem:567826DTXCID60992477869-780-55669-17-03-Phenylvaleric acidbeta-Ethylhydrocinnamic acidNSC 301223-PHENYLPENTANOICACIDHydrocinnamic acid, beta-ethyl-
Show more names
β-Ethylhydrocinnamic acid
Benzenepropanoic acid, beta-ethyl-b-PhenylvaleriansaureBenzenepropanoic acid, .beta.-ethyl-SCHEMBL240789SCHEMBL6722503I(2)-Ethylbenzenepropanoic acidFAA66917NSC30122
Database identifiers
- CAS
5669-17-0- PubChem CID
- 21882
- DTXSID
DTXSID401308843- EC Number
- 869-780-5
- Nikkaji
- J59.906I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers6 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…