CAS 6270-44-6 2'-Hydroxy-4'-methoxypropiophenone (HCID 234836)

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Basic information

CAS: 6270-44-6
Standard SMILES: CCC(=O)c1ccc(OC)cc1O
InChIKey: MAKZPFSTXDXNJN-UHFFFAOYSA-N
Molecular formula: C10H12O3
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.07864424

Overview

2'-Hydroxy-4'-methoxypropiophenone has been reported in Tribolium castaneum with data available.

Names & identifiers

Preferred name: 2'-Hydroxy-4'-methoxypropiophenone
IUPAC: 1-(2-hydroxy-4-methoxyphenyl)propan-1-one
English name: 2'-Hydroxy-4'-methoxypropiophenone
Molecular formula: C10H12O3
Molecular weight: 180.2

Names & synonyms

2'-Hydroxy-4'-methoxypropiophenoneDTXSID40284089RefChem:439673DTXCID10235240621-243-41-(2-hydroxy-4-methoxyphenyl)propan-1-one6270-44-62-HYDROXY-4-METHOXYPROPIOPHENONE 97MFCD04037453SCHEMBL2260356AKOS000112433H1207

Show more names

RMA-853Resorcinol Impurity 642′-Hydroxy-4′-methoxypropiophenone2'-Hydroxy-4'-methoxypropiophenone>2'-HYDROXY-4'-METHOXYPROPIOPHENONE 971-Propanone, 1-(2-hydroxy-4-methoxyphenyl)-2′-Hydroxy-4′-methoxypropiophenone, CAS 6270-44-61-(2-Hydroxy-4-methoxyphenyl)propan-1-one - [H92754]

D91015AP-065/418841421-(2-hydroxy-4-methoxyphenyl)-1-propanoneNSC35524CHEMBL3274367NSC-35524SBB027179STK667606

Database identifiers

CAS: 6270-44-6
PubChem CID: 234836
DTXSID

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 55.5 · 55.5-59.5 °C(lit.)
Boiling point: 314.7 · 314.7±22.0 °C(Predicted)
Density: 1.126 · 1.126±0.06 g/cm3(Predicted)
solubility: soluble in Methanol
form: powder to crystal
pka: 7.87 · 7.87±0.40(Predicted)
color: White to Almost white
InChI: 1S/C10H12O3/c1-3-9(11)8-5-4-7(13-2)6-10(8)12/h4-6,12H,3H2,1-2H3
InChIKey: MAKZPFSTXDXNJN-UHFFFAOYSA-N
SMILES: CCC(=O)c1ccc(OC)cc1O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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: 2914.50.5000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
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-P305+P351+P338

Chemistry & industry

Preparation methods

PreparationPreparation by reaction of propionyl chloride with resorcinol dimethyl ether in ethyl ether at 0° in the presence of aluminium chloride.