Basic information
- CAS
52182-15-7- Standard SMILES
CCOC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
AIPVNQQMYPWQSX-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- Ethyl diphenylglycolate
- IUPAC
- ethyl 2-hydroxy-2,2-diphenylacetate
- English name
- ETHYL BENZILATE
- Molecular formula
- C16H16O3
- Molecular weight
- 256.3
Names & synonyms
Ethyl benzilate52182-15-7Ethyl diphenylglycolateEINECS 257-713-7DTXSID10200211NSC 62707RefChem:596179DTXCID10122702257-713-7ethyl 2-hydroxy-2,2-diphenylacetateBenzilic Acid Ethyl EsterEthyl benzillate
Show more names
EthylBenzilate>Trospium Impurity 13Ethyl benzilate, 97+%BENZILIC ACID ETHYL ESTER 97%DIPHENYLGLYCOLIC ACID ETHYL ESTER
MFCD00016850NSC-62707Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, ethyl esterBenzilsaureethylester7CFR9ZJ7REBenzilic acid, ethyl esterEthyl hydroxydi(phenyl)acetateSCHEMBL2763579
Database identifiers
- CAS
52182-15-7- PubChem CID
- 96261
- DTXSID
DTXSID10200211- UNII
- 7CFR9ZJ7RE
- EC Number
- 257-713-7
- Nikkaji
- J34.381A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 29 °C · 29°C
- Boiling point
- 192 · 192-194°C 12mm
- Density
- 1 · 1,562 g/cm3
- refractive index
- 1.56 · 1.5600
- Flash point
- 192 · 192-194°C/12mm
- storage temp.
- Store at room temperature
- form
- powder to lump to clear liquid
- pka
- 11.52 · 11.52±0.29(Predicted)
- color
- White or Colorless to Yellow
- BRN
- 991958 · 991958
- InChI
- InChI=1S/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3
- InChIKey
- AIPVNQQMYPWQSX-UHFFFAOYSA-N
- SMILES
- C(O)(C(=O)OCC)(C1C=CC=CC=1)C1C=CC=CC=1
- CAS DataBase Reference
- 52182 · 52182-15-7(CAS DataBase Reference)
- FDA UNII
- 7 CFR9ZJ7RE · 7CFR9ZJ7RE
- Symbol(GHS)
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
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Ethyl diphenylglycolate (EC: 257-713-7)
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- hs_code
- 29181990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesThe ester was identified in bread more than 10 years ago (1955/56). It is interesting to note that Benzene derivatives are components of such common food as bread, when earlier it was generally believed that Benzol derivatives were rarely found in Nature (or in food).
Preparation methods
PreparationBy esterification of Ethanol with Benzilic acid, e. g. under azeotropic conditions.
Suppliers48 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
2 records
Compound notes
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