Basic information
- CAS
22618-22-0- Standard SMILES
CC(=O)Oc1cccc(C)c1C- InChIKey
BDRDXXDADCHOEU-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2,3-Xylyl acetate
- IUPAC
- (2,3-dimethylphenyl) acetate
- English name
- 2,3-xylyl acetate
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2,3-dimethylphenyl acetate2,3-Xylyl acetatePHENOL, 2,3-DIMETHYL-, 1-ACETATE8NK7XT8VP4EINECS 245-127-4DTXSID50177135RefChem:81948DTXCID3099626245-127-422618-22-0Phenol, 2,3-dimethyl-,1-acetate(2,3-dimethylphenyl) acetate
Show more names
2,3-Dimethylphenol acetateAcetic acid 2,3-dimethylphenyl ester
UNII-8NK7XT8VP4SCHEMBL7428102,3-Dimethylphenol 1-acetateSCHEMBL9673004SCHEMBL9673011SCHEMBL31229899Phenol, 2,3-dimethyl-, acetateMFCD25969898
Database identifiers
- CAS
22618-22-0- PubChem CID
- 89772
- DTXSID
DTXSID50177135- UNII
- 8NK7XT8VP4
- EC Number
- 245-127-4
- Nikkaji
- J286.259J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- FDA UNII
- 8 NK7XT8VP4 · 8NK7XT8VP4
Chemistry & industry
Suppliers4 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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