1-Butanone, 1-(4-hydroxyphenyl)-

HCID 66092CAS 1009-11-6

Substructure search Find similar structures

Basic information

Standard SMILES: CCCC(=O)c1ccc(O)cc1
InChIKey: GFBLPULLSAPXDC-UHFFFAOYSA-N
Molecular formula: C10H12O2
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.08372962

Names & identifiers

Preferred name: 1-Butanone, 1-(4-hydroxyphenyl)-
IUPAC: 1-(4-hydroxyphenyl)butan-1-one
English name: 1-(4-Hydroxyphenyl)-1-butanone
Molecular formula: C10H12O2
Molecular weight: 164.2

Names & synonyms

1009-11-64'-Hydroxybutyrophenone1-Butanone, 1-(4-hydroxyphenyl)-p-Hydroxybutyrophenone4-ButyrylphenolButyrophenone, 4'-hydroxy-p-Hydroxyphenyl propyl ketoneNSC 17548EINECS 213-766-8DTXSID5061405RefChem:430914DTXCID6032562

Show more names

4-HYDROXYBUTANOPHENONEPROPYL 4-H4-Butanoylphenolp-Hydroxybutanone1-(4-Hydroxyphenyl)-

Butyrophenone, 4'-hydroxy-(8CI)213-766-81-(4-Hydroxyphenyl)butan-1-one1-(4-Hydroxyphenyl)-1-butanonep-ButyrylphenolMFCD00020173CHEMBL2141501-[4-Hydroxyphenyl]-1-butanone

Database identifiers

CAS: 1009-11-6
PubChem CID: 66092
DTXSID: DTXSID5061405
ChEMBL: CHEMBL214150
EC Number: 213-766-8
Nikkaji: J217.124D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 146

Physicochemical properties

Melting point: 93 °C · 93°C
Boiling point: 174 °C · 174 °C / 40mmHg
Density: 1.0435 g/cm3 · 1.0435 g/cm3(Temp: 24 °C)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 8.05 · 8.05±0.15(Predicted)
color: White to Yellow to Orange
InChI: InChI=1S/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3
InChIKey: GFBLPULLSAPXDC-UHFFFAOYSA-N
SMILES: C(C1=CC=C(O)C=C1)(=O)CCC
CAS DataBase Reference: 1009 · 1009-11-6(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1-(4-Hydroxyphenyl)-1-butanone(1009-11-6)
EPA Substance Registry System: 1 · 1-Butanone, 1-(4-hydroxyphenyl)- (1009-11-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 2914500090 · 2914500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)

Safety data

tsca: TSCA listed
hs_code: 2914500090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313