Basic information
- CAS
21133-98-2- Standard SMILES
CCOC(=O)CC(C)(O)c1ccc(Cl)cc1- InChIKey
AKTWBLNPMXANJD-UHFFFAOYSA-N- Molecular formula
- C12H15ClO3
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.070972
Names & identifiers
- Preferred name
- Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate
- IUPAC
- ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate
- English name
- ethyl 3-(p-chlorophenyl)-3-hydroxybutyrate
- Molecular formula
- C12H15ClO3
- Molecular weight
- 242.7
Names & synonyms
ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate21133-98-2Ethyl 3-(p-chlorophenyl)-3-hydroxybutyrate3UP87RV7B5SCHEMBL1349277DTXSID40943462WAA13398EINECS 244-235-9MFCD16756845AKOS011682291ethyl3-(4-chlorophenyl)-3-hydroxybutanoateNS00051762
Show more names
4-Chloro-β-hydroxy-β-methylbenzenepropanoic acid ethyl esterBenzenepropanoic acid, 4-chloro-β-hydroxy-β-methyl-, ethyl ester
EN300-252228G52771Benzenepropanoic acid, 4-chloro-beta-hydroxy-beta-methyl-, ethyl ester
Database identifiers
- CAS
21133-98-2- PubChem CID
- 89439
- DTXSID
DTXSID40943462- UNII
- 3UP87RV7B5
- EC Number
- 244-235-9
- Nikkaji
- J226.148K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
Loading…