1-Phenoxy-2-propanone (HCID 69313)

Names & identifiers

Preferred name: 1-Phenoxy-2-propanone
IUPAC: 1-phenoxypropan-2-one
English name: PHENOXYACETONE
Molecular formula: C9H10O2
Molecular weight: 150.17

Names & synonyms

Phenoxyacetone621-87-42-Propanone, 1-phenoxy-1-Phenoxyacetone1-Phenoxy-2-propanonePhenoxymethyl methyl ketoneAI3-10571ZKT38MGG38NSC-1876DTXSID3060740RefChem:861525DTXCID3043235

Show more names

ω-AcetoanisolephenoxyethylonePhenoxyacetone>phenoxy-2-propanonPhenoxyacetone,99%1-phenoxy-2-propanonPhenoxyacetone, 97+%

210-712-51-phenoxypropan-2-onePhenoxy-2-propanone1-phenoxy-propan-2-oneMFCD00008767Phenoxyacetonphenoxy acetone1-(phenoxy)propan-2-one

Database identifiers

CAS: 621-87-4
PubChem CID: 69313
DTXSID: DTXSID3060740
UNII: ZKT38MGG38
EC Number: 210-712-5
Nikkaji: J1.674H

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 126

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

LogP1.04

Physicochemical properties

Boiling point: 229 · 229-230 °C(lit.)
Density: 1.097 g/mL · 1.097 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.521(lit.)
Flash point: 185 °F · 185 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: Clear Colourless to Pale Yellow
BRN: 1862985 · 1862985
InChI: 1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey: QWAVNXZAQASOML-UHFFFAOYSA-N
SMILES: CC(=O)COc1ccccc1
LogP: 1.04 · 1.040
CAS DataBase Reference: 621 · 621-87-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 38 MGG38 · ZKT38MGG38
EPA Substance Registry System: 2 · 2-Propanone, 1-phenoxy- (621-87-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H332
Precautionary statements: 210 · P210-P261-P271-P280-P304+P340+P312-P370+P378-P403+P235-P501
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 23 · 23
Safety Statements: 45 · 45
WGK Germany: 3 · 3
RTECS: 3387525 · UC3387525
TSCA: TSCA listed
HS Code: 29145000 · 29145000
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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 CategoriesAcute Tox. 4 (33.3%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: UC3387525
hs_code: 29145000
risk_code: 23
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 45
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H332
Precautionary statements: P210-P261-P271-P280-P304+P340+P312-P370+P378-P403+P235-P501