Basic information
- CAS
617-02-7- Standard SMILES
Cc1ccccc1OC(=O)c1ccccc1- InChIKey
YPMKPCAILYDVBN-UHFFFAOYSA-N- Molecular formula
- C14H12O2
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.08372962
Names & identifiers
- Preferred name
- 2-Cresyl benzoate
- IUPAC
- (2-methylphenyl) benzoate
- English name
- o-Tolyl benzoate
- Molecular formula
- C14H12O2
- Molecular weight
- 212.24
Names & synonyms
o-Tolyl benzoate617-02-72-Methylphenyl benzoateBenzoic acid, o-tolyl esterBenzoic acid, 2-methylphenyl ester2-Cresyl benzoateQ2UE89RH5UNSC-6043O-CRESYL BENZOATE2-TOLYL BENZOATEEINECS 210-501-8CRESYL BENZOATE, O-
Show more names
o-Tolylbenzoate,99%Benzoicacido-tolylesterBenzoic acid 2-methylphenylBenzoic acid 2-methylphenyl esterBenzenecarboxylic acid 2-methylphenyl ester
AI3-03809DTXSID30210695NSC 6043RefChem:470556DTXCID60133186210-501-8(2-methylphenyl) benzoateo-Tolylbenzoate
Database identifiers
- CAS
617-02-7- PubChem CID
- 69231
- DTXSID
DTXSID30210695- UNII
- Q2UE89RH5U
- EC Number
- 210-501-8
- Nikkaji
- J47.241G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 170 · 170-172°C 11mm
- Density
- 1 · 1,091 g/cm3
- refractive index
- 1.57 · 1.5700
- Flash point
- 170 · 170-172°C/11mm
- storage temp.
- 2 · 2-8°C
- BRN
- 1873222 · 1873222
- LogP
- 3.59 · 3.590
- FDA UNII
- 2 UE89RH5U · Q2UE89RH5U
- Safety Statements
- 24 · 24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzoic acid, 2-methylphenyl ester
Other Safety InformationIMAP assessments - Benzoic acid, 2-methylphenyl ester: Human health tier I assessment
Safety data
- safety_code
- 24/25
Chemistry & industry
Suppliers13 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
扬州时利和诚科技有限公司15312801805 · [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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
1 records
Compound notes
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