Basic information
- CAS
4170-90-5- Standard SMILES
Cc1cc(C)c(CO)c(C)c1- InChIKey
LODDFDHPSIYCTK-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 2,4,6-Trimethylbenzyl alcohol
- IUPAC
- (2,4,6-trimethylphenyl)methanol
- English name
- 2,4,6-Trimethylbenzyl alcohol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2,4,6-TRIMETHYLBENZYL ALCOHOL4170-90-5MesitylcarbinolBenzenemethanol, 2,4,6-trimethyl-REV3KVT84NDTXSID70194506RefChem:1059639DTXCID40116997224-032-1Mesitylmethanol(2,4,6-trimethylphenyl)methanolMFCD00014422
Show more names
MESITYL ALCOHOLRARECHEM AL BD 00492,4,6-trimethylbenzylol2-(Hydroxymethyl)mesitylene2,4,6-Trimethylbenzylalkohol2,4,6-trimethyl-benzylalcoho6-(Hydroxymethyl)-mesitylene
BRN 18626082,4,6-Trimethylbenzylic alcoholUNII-REV3KVT84NBenzyl alcohol, 2,4,6-trimethyl-EINECS 224-032-14-06-00-03362 (Beilstein Handbook Reference)(2,4,6-Trimethyl-phenyl)-methanol(2,4,6-trimethylphenyl)methan-1-ol
Database identifiers
- CAS
4170-90-5- PubChem CID
- 20139
- DTXSID
DTXSID70194506- UNII
- REV3KVT84N
- EC Number
- 224-032-1
- Nikkaji
- J14.524F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 87 · 87-89 °C (lit.)
- Boiling point
- 140 °C/15 · 140 °C/15 mmHg (lit.)
- Density
- 0.9108 · 0.9108 (rough estimate)
- refractive index
- 1.4763 · 1.4763 (estimate)
- Flash point
- 140 °C/15mm · 140°C/15mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 14.51 · 14.51±0.10(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 1862608 · 1862608
- InChI
- 1S/C10H14O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3
- InChIKey
- LODDFDHPSIYCTK-UHFFFAOYSA-N
- SMILES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- DP1402000
- hs_code
- 29062990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,4,6-Trimethylbenzyl alcohol was used in the synthesis of 3-(2,4,6-trimethylbenzyl)indole.
General Description2,4,6-Trimethylbenzyl alcohol undergoes oxidation in the presence of molecular iodine and potassium carbonate in 2,2,2-trifluoroethanol.
Upstream & downstream products
Downstream products
Suppliers96 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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+86-0086-577-64498589 +86-15355981851 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
3 records
Compound notes
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