Basic information
- CAS
877-48-5- Standard SMILES
CC(=O)Oc1cc(C)ccc1C- InChIKey
SBOSLJVYJPZJNH-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- Phenol, 2,5-dimethyl-, 1-acetate
- IUPAC
- (2,5-dimethylphenyl) acetate
- English name
- 2,5-DIMETHYLPHENYL ACETATE
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
877-48-52,5-Xylyl acetateSCF35Q9C57NSC-5305DTXSID40236568RefChem:1094788DTXCID70159059Phenol, 2,5-dimethyl-, 1-acetate212-893-62,5-Dimethylphenyl acetate(2,5-dimethylphenyl) acetateacetic acid 2,5-dimethylphenyl ester
Show more names
2,5-Dimethylphenol acetate(2,5-dimethylphenyl) ethanoateACETIC ACID 2,5-DIMETHYL-PHENYL ESTER
NSC5305EINECS 212-893-62,5-Xylenol, acetateUNII-SCF35Q9C57SCHEMBL33241552,5-DIMETHYLPHENYLACETATEPhenol, 2,5-dimethyl-, acetateNSC 5305
Database identifiers
- CAS
877-48-5- PubChem CID
- 70141
- DTXSID
DTXSID40236568- UNII
- SCF35Q9C57
- EC Number
- 212-893-6
- Nikkaji
- J195.170J
Properties
Computed structural properties
- XLogP
- 2.2
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 237 °C · 237°C (estimate)
- Density
- 1.0624 · 1.0624
- refractive index
- 1.507 · 1.5070 (estimate)
- FDA UNII
- 35 Q9C57 · SCF35Q9C57
- 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
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
Loading…