Basic information
- CAS
137380-49-5- Standard SMILES
Cc1cc(C)c(CO)c(C)c1C=O- InChIKey
GJSOCYDNDMREOL-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 3-(Hydroxymethyl)-2,4,6-trimethylbenzaldehyde
- IUPAC
- 3-(hydroxymethyl)-2,4,6-trimethylbenzaldehyde
- English name
- CHEMBRDG-BB 5182639
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
3-(hydroxymethyl)-2,4,6-trimethylbenzaldehyde137380-49-5benzaldehyde, 3-(hydroxymethyl)-2,4,6-trimethyl-MFCD00297149CHEMBRDG-BB 5182639SCHEMBL8625037SCHEMBL28381145DTXSID80350439ALBB-013667STK897907AKOS003245146SB84274
Show more names
(hydroxymethyl)formylmesitylene3-(hydroxymethyl)-2,4,6-trimethylbenzenemethylaldehyde3-(hydroxymethyl)-2,4,6-trimethylbenzaldehyde(SALTDATA: FREE)
NCGC00329706-012,4,6-trimethyl-3-methylol-benzaldehydeLS-04293ST020715SY491178CS-0318567G688793-(hydroxymethyl)-2,4,6-trimethyl-benzaldehyde
Database identifiers
- CAS
137380-49-5- PubChem CID
- 679237
- DTXSID
DTXSID80350439
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 68 · 68-69 °C
- Boiling point
- 331.2 · 331.2±30.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 14.49 · 14.49±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
安徽合诺生物科技有限公司18455579438
赛纳斯特化学（欢迎点击联系）021-60343070
上海瀚思化工有限公司18916268197 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海捷世凯生物科技有限公司
Related reactions
1 records
Compound notes
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