Basic information
- CAS
14920-81-1- Standard SMILES
COC(=O)c1c(C)cccc1C- InChIKey
XJMULMWDHLJUKP-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- Methyl 2,6-dimethylbenzoate
- IUPAC
- methyl 2,6-dimethylbenzoate
- English name
- Methyl 2,6-dimethylbenzoate
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
Methyl 2,6-dimethylbenzoate14920-81-1Benzoic acid, 2,6-dimethyl-, methyl esterDTXSID703338772,6-(CH3)2-C6H3-COOCH3RefChem:157235DTXCID80284967870-675-1XJMULMWDHLJUKP-UHFFFAOYSA-NMFCD062037212,6-dimethylbenzoic acid methyl esterMethyl2,6-Dimethylbenzoate
Show more names
Benzyl Benzoate Impurity 36
methyl m-methyltoluateSCHEMBL403705Methyl 2,6-Dimethyl-benzoateAMY20532Methyl 26-DimethylbenzoateSCHEMBL403704CHEMBL5267103AKOS006294000
Database identifiers
- CAS
14920-81-1- PubChem CID
- 519028
- DTXSID
DTXSID70333877- ChEMBL
CHEMBL5267103- EC Number
- 870-675-1
- Nikkaji
- J356.910A
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 155
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.55
Physicochemical properties
- Boiling point
- 106 · 106-108 °C(Press: 15 Torr)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2916399090 · 2916399090
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.
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers51 total
上海康恩博医药科技有限公司17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
安徽合诺生物科技有限公司18455579438
菏泽博纳医药科技有限公司15865805009 · [email protected]
Related reactions
26 records
Compound notes
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