Basic information
- CAS
13730-55-7- Standard SMILES
COC(=O)c1cc(C)ccc1C- InChIKey
YILVOENZHZWHHK-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- Methyl 2,5-dimethylbenzoate
- IUPAC
- methyl 2,5-dimethylbenzoate
- English name
- 2,5-Dimethylbenzoic acid methyl ester
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
Methyl 2,5-dimethylbenzoate13730-55-7Benzoic acid, 2,5-dimethyl-, methyl ester2,5-Dimethylbenzoic acid methyl esterMFCD06203655NSC-118435methyl p-methyltoluate2,5-DIMETHYL-BENZOIC ACID METHYL ESTERMethyl-(2,5-dimethyl)benzoateSCHEMBL1170022SCHEMBL6893999SCHEMBL9578781
Show more names
SCHEMBL16245919SCHEMBL30364839DTXSID00297837KJ66P79G66METHYL-2,5-DIMETHYLBENZOATENSC118435AKOS002392967FD67731
Database identifiers
- CAS
13730-55-7- PubChem CID
- 273300
- DTXSID
DTXSID00297837- UNII
- KJ66P79G66
- Nikkaji
- J45.122C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
Kovats Retention Index1287；219.41
Physicochemical properties
- Boiling point
- 121 °C · 121 °C(Press: 20 Torr)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers19 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
苏州安尼康药物研发有限公司0512-69369885 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
7 records
Compound notes
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