Basic information
- CAS
29329-35-9- Standard SMILES
Cc1cc(C)c(CO)c(C)c1CO- InChIKey
NWAIYLFAGPKYBZ-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- (2,4,6-Trimethyl-1,3-phenylene)dimethanol
- IUPAC
- [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol
- English name
- 2,4-Bis(hydroxymethyl)-1,3,5-trimethylbenzene
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
29329-35-9(2,4,6-trimethyl-1,3-phenylene)dimethanolDTXSID80344272RefChem:205492DTXCID902953472,4-BIS(HYDROXYMETHYL)-1,3,5-TRIMETHYLBENZENE[3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol1,3-Benzenedimethanol,2,4,6-trimethyl-Cambridge id 5103814SCHEMBL7708095CHEMBL4549204NWAIYLFAGPKYBZ-UHFFFAOYSA-N
Show more names
1,3-BenzenediMethanol, 2,4,6-triMethyl-3-(hydroxymethyl)-2,4,6-trimethylphenyl2,4-Bis-(hydroxymethyl)mesitylene, GC 97%REF DUPL: 2,4-Bis-(hydroxymethyl)mesitylene
HMS1674H012,4-Bis-(hydroxymethyl)-mesithyleneAKOS0001260732,4,6-Trimethyl-1,3-benzenedimethanolST50223945[3-(hydroxymethyl)-2,4,6-trimethylphenyl]methan-1-ol
Database identifiers
- CAS
29329-35-9- PubChem CID
- 595604
- DTXSID
DTXSID80344272- ChEMBL
CHEMBL4549204
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 142
Chemistry & industry
Suppliers5 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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