Basic information
- CAS
87-24-1- Standard SMILES
CCOC(=O)c1ccccc1C- InChIKey
SOUAXOGPALPTTC-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- Ethyl 2-methylbenzoate
- IUPAC
- ethyl 2-methylbenzoate
- English name
- Ethyl 2-methylbenzoate
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
Ethyl 2-methylbenzoate87-24-1Ethyl o-toluateEthyl o-methylbenzoateo-Toluic acid ethyl esterethyl-o-toluateEthyl-2-methylbenzoateDTXSID4040711o-Toluic acid, ethyl esterUNII-384Q41M534EINECS 201-734-6NSC 29048
Show more names
ETHYL 2-TOLUATEEthylortho-toluateEthyl orthotoluateRARECHEM AL BI 0047Ethyl o-Toluate >Ethyl 2-methylbenzoaEthyl o-toluate, 98+%
NSC-29048o-Toluylic acid, ethyl esterAI3-04247384Q41M534DTXCID2020711SOUAXOGPALPTTC-UHFFFAOYSA-RefChem:138621o-Toluic acid, ethyl ester (8CI)
Database identifiers
- CAS
87-24-1- PubChem CID
- 66598
- DTXSID
DTXSID4040711- ChEMBL
CHEMBL1882976- UNII
- 384Q41M534
- EC Number
- 201-734-6
- Nikkaji
- J47.822I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- -10 °C · <-10 °C
- Boiling point
- 220 · 220-221 °C731 mm Hg(lit.)
- Density
- 1.032 g/mL · 1.032 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.507(lit.)
- Flash point
- 91 °C · 91 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- Clear slightly yellow
- BRN
- 2042517 · 2042517
- LogP
- 3.19 · 3.190 (est)
- CAS DataBase Reference
- 87 · 87-24-1(CAS DataBase Reference)
- FDA UNII
- 384 Q41M534 · 384Q41M534
- NIST Chemistry Reference
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 2-methyl-, ethyl ester
Benzoic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesEye Dam. 1 (97.5%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29153900
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-methyl-, ethyl ester: ACTIVE
Upstream & downstream products
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
21 records
Compound notes
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