CAS 1470-57-1 2-Hydroxy-5-methylbenzophenone (HCID 73851)

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Basic information

CAS: 1470-57-1
Standard SMILES: Cc1ccc(O)c(C(=O)c2ccccc2)c1
InChIKey: OQERFUGURPLBQH-UHFFFAOYSA-N
Molecular formula: C14H12O2
Average molar mass: 212.24 g/mol
Monoisotopic mass: 212.08372962

Names & identifiers

Preferred name: 2-Hydroxy-5-methylbenzophenone
IUPAC: (2-hydroxy-5-methylphenyl)-phenylmethanone
English name: 2-Hydroxy-5-methylbenzophenone
Molecular formula: C14H12O2
Molecular weight: 212.24

Names & synonyms

2-Hydroxy-5-methylbenzophenone1470-57-12-Benzoyl-4-methylphenolMethanone, (2-hydroxy-5-methylphenyl)phenyl-5-Methyl-2-hydroxybenzophenoneDTXSID9047881NSC-296NSC 29685W615BMP7Benzophenone, 2-hydroxy-5-methyl-EINECS 216-002-1(2-Hydroxy-5-methylphenyl)phenylmethanone

Show more names

RARECHEM FH 1L 00642- Hyroxy-5-methyl benzophenone2'-Hydroxy-5'-Methylbenzophenone2'-HYDROXY 5'-METHYL BENZOPHENONE2-Hydroxy-5-methylbenzophenone>2-Hydroxy-5-methylbenzophenone 99%

DTXCID5027857RefChem:473279216-002-1(2-hydroxy-5-methylphenyl)(phenyl)methanone(2-hydroxy-5-methylphenyl)-phenylmethanoneMFCD00002379NSC2962-Hydroxy-5-methylbenzophenone, 99%

Database identifiers

CAS: 1470-57-1
PubChem CID: 73851
DTXSID: DTXSID9047881
ChEMBL: CHEMBL25139
UNII: 85W615BMP7
EC Number: 216-002-1
Nikkaji: J206.675K

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 243

Physicochemical properties

Melting point: 83 · 83-85 °C (lit.)
Boiling point: 312.08 °C · 312.08°C (rough estimate)
Density: 1.1035 · 1.1035 (rough estimate)
refractive index: 1.6 · 1.6000 (estimate)
pka: 8.24 · 8.24±0.43(Predicted)
form: powder to crystal
color: Light orange to Yellow to Green
InChI: 1S/C14H12O2/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,15H,1H3
InChIKey: OQERFUGURPLBQH-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c(c1)C(=O)c2ccccc2
CAS DataBase Reference: 1470 · 1470-57-1(CAS DataBase Reference)
FDA UNII: 85 W615BMP7 · 85W615BMP7
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29145000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Hydroxy-5-methylbenzophenone is a general reagent used in the synthesis of anti-bacterial and anti-fungal agents.

Preparation methods · 1 item

PreparationPreparation by condensation of benzotrichloride with p-cresol, in the presence of aluminium chloride in carbon disulfide for 2 h (75%). The 6,12-diphenyl-2,8-dimethyl-6,12-epoxy-6H,12H-dibenzo[b,f] dioxocin, an intermediate compound, was also formed under these conditions (29%). This “dioxocin”, by hydrolysis with concentrated sulfuric acid at r.t., gave the expected ketone (91%); in the presence of aqueous sodium hydroxide in a water bath for 4 h (33%) or in 32–40% aqueous sodium hydroxide at 70–80° (67%).