Basic information
- CAS
1754-55-8- Standard SMILES
CCOC(=O)c1c(C)cc(C)cc1C- InChIKey
ZXTXIZPSMQCYBN-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Ethyl 2,4,6-trimethylbenzoate
- IUPAC
- ethyl 2,4,6-trimethylbenzoate
- English name
- Ethyl 2,4,6-trimethylbenzoate
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
Ethyl 2,4,6-trimethylbenzoate1754-55-8Benzoic acid, 2,4,6-trimethyl-, ethyl esterethyl mesitoateJ3SE9DS73GEINECS 217-143-1UNII-J3SE9DS73GNSC 229348NSC-229348Ethyl-2,4,6-trimethylbenzoateDTXSID60169980RefChem:138523
Show more names
RARECHEM AL BI 0049Ethyl-2,4,6-trimethylEthyl MesitylenecarboxylateEthyl2,4,6-Trimethylbenzoate>Ethyl 2,4,6-trimethylbenzoate, 98+%Mesitylenecarboxylic Acid Ethyl Ester
DTXCID8092471217-143-1ZXTXIZPSMQCYBN-UHFFFAOYSA-N2,4,6-Trimethylbenzoic Acid Ethyl EsterMFCD00015439SCHEMBL571273AS-657162,4,6-trimethyl-benzoic acid ethyl ester
Database identifiers
- CAS
1754-55-8- PubChem CID
- 74465
- DTXSID
DTXSID60169980- UNII
- J3SE9DS73G
- EC Number
- 217-143-1
- Nikkaji
- J203.160D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 121 °C · 121 °C / 7mmHg
- Density
- 1 · 1.00
- refractive index
- 1.502 · 1.5020
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Insoluble in water
- form
- clear liquid
- color
- Colorless to Light yellow to Red
- CAS DataBase Reference
- 1754 · 1754-55-8(CAS DataBase Reference)
- FDA UNII
- 3 SE9DS73G · J3SE9DS73G
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
- Safety Statements
- 24 · 24/25
- 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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers76 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
保定秉承新材料有限公司17531190177 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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