Basic information
- CAS
2282-84-0- Standard SMILES
COC(=O)c1c(C)cc(C)cc1C- InChIKey
PXLABDTXHJPRRH-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 2,4,6-Trimethylbenzoic acid methyl ester
- IUPAC
- methyl 2,4,6-trimethylbenzoate
- English name
- Methyl 2,4,6-trimethylbenzoate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
2,4,6-trimethylbenzoic acid methyl esterRefChem:442963622-415-1Methyl 2,4,6-trimethylbenzoate2282-84-0MFCD00184961Methyl mesitoateMethyl .beta.-isodurilateBenzoic acid, 2,4,6-trimethyl-, methyl ester2,4,6-trimethyl-benzoic acid methyl esterMethyl2,4,6-trimethylbenzoateSCHEMBL1036031
Show more names
Methyl mesitateRARECHEM AL BF 0049Mesitoic acid methylMethyl-2,4,6-trimethylMethyl beta-isodurilate2,4,6-trimethyl benzoateMethyl 2,4,6-trimethylbenzoate 2282-84-0
SCHEMBL2809402DTXSID40334215PXLABDTXHJPRRH-UHFFFAOYSA-NAKOS008910830AS-13511SY2913942,4,6-trimethylbenzoic acid, methyl ester2,4,6-(CH3)3-C6H2-COOCH3
Database identifiers
- CAS
2282-84-0- PubChem CID
- 519982
- DTXSID
DTXSID40334215- EC Number
- 622-415-1
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 114.8 · 114.8-115.2 °C(Press: 7-7.5 Torr)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- CAS DataBase Reference
- 2282 · 2282-84-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2,4,6-(CH3)3-C6H2-COOCH3(2282-84-0)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H332-H335-H314
- Precautionary statements
- 260 · P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H312-H332-H335-H314
- Precautionary statements
- P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers51 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
河南东元化工科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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