Basic information
- CAS
26216-10-4- Standard SMILES
CC(=O)c1cc(C)c(O)cc1C- InChIKey
MHQHNHNWOMRDKM-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2',5'-Dimethyl-4'-hydroxyacetophenone
- IUPAC
- 1-(4-hydroxy-2,5-dimethylphenyl)ethanone
- English name
- 1-(4-HYDROXY-2,5-DIMETHYL-PHENYL)-ETHANONE
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2',5'-DIMETHYL-4'-HYDROXYACETOPHENONERefChem:439477661-093-726216-10-41-(4-hydroxy-2,5-dimethylphenyl)ethan-1-one1-(4-hydroxy-2,5-dimethylphenyl)ethanoneEthanone, 1-(4-hydroxy-2,5-dimethylphenyl)-NSC173995SCHEMBL3285509SCHEMBL29657461DTXSID60306075MHQHNHNWOMRDKM-UHFFFAOYSA-N
Show more names
1-(4-Hydroxy-2,5-dimethyl)-ethanone3(2H)-Thlophenone, 4-hydroxy-2,5-diMethyl1-(4-HYDROXY-2,5-DIMETHYL-PHENYL)-ETHANONE
AKOS006273326NSC-173995CS-02747971-(2,5-dimethyl-4-hydroxy-phenyl)-ethanoneEN300-1242065
Database identifiers
- CAS
26216-10-4- PubChem CID
- 299974
- DTXSID
DTXSID60306075- EC Number
- 661-093-7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 130 · 130-131 °C
- Boiling point
- 315 · 315.0±37.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- pka
- 8.65 · 8.65±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of acetic acid on 2,5-dimethylphenol with boron trifluoride at 70° (95%).
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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