Basic information
- Standard SMILES
CC(=O)Oc1c(C)cc(O)c(C)c1C- InChIKey
JFNARRJEBQBMJF-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.09429431
Overview
4-Hydroxy-2,3,6-trimethylphenyl acetate is a member of phenols and a benzoate ester.
Names & identifiers
- Preferred name
- 4-Hydroxy-2,3,6-trimethylphenyl acetate
- IUPAC
- (4-hydroxy-2,3,6-trimethylphenyl) acetate
- English name
- 4-Hydroxy-2,3,6-trimethylphenyl acetate
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
4-Hydroxy-2,3,6-trimethylphenyl acetate36592-62-84-Acetoxy-2,3,5-trimethylphenol(4-hydroxy-2,3,6-trimethylphenyl) acetateEINECS 253-121-8SCHEMBL721909F46BE5U6P8orb3029936SCHEMBL5609584DTXSID60190077CHEBI:194834Fr14584
Show more names
Acetic acid 2,3,6-trimethyl-4-hydroxyphenyl ester
4-acetoxy-2,3,5-trimethyl phenolHydroquinone, trimethyl-, 4-acetate4-Acetoxy-2, 3, 5-trimethylphenolCS-0069683NS000300611,4-Benzenediol, 2,3,5-trimethyl-, 4-acetate
Database identifiers
- CAS
36592-62-8- PubChem CID
- 119024
- DTXSID
DTXSID60190077- ChEBI
CHEBI:194834- UNII
- F46BE5U6P8
- EC Number
- 253-121-8
- Nikkaji
- J332.322F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 107.5 °C · 107.5 °C
- Boiling point
- 300.4 · 300.4±30.0 °C(Predicted)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
- pka
- 10.2 · 10.20±0.41(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 260 · P260-P271-P280
- HS Code
- 2915390090 · 2915390090
Safety & regulation
Safety data
- hs_code
- 2915390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P260-P271-P280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 4-Hydroxy-2,3,6-trimethylphenyl acetate is a member of phenols and a benzoate ester.
Related reactions
22 records
Linked notes
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