4-Allyloxy-2-hydroxybenzophenone

HCID 75689

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Basic information

CAS: 2549-87-3
Standard SMILES: C=CCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIKey: GVZIBGFELWPEOC-UHFFFAOYSA-N
Molecular formula: C16H14O3
Average molar mass: 254.28 g/mol
Monoisotopic mass: 254.09429431

Names & identifiers

Preferred name: 4-Allyloxy-2-hydroxybenzophenone
IUPAC: (2-hydroxy-4-prop-2-enoxyphenyl)-phenylmethanone
English name: 4-Allyloxy-2-hydroxybenzophenone
Molecular formula: C16H14O3
Molecular weight: 254.28

Names & synonyms

4-Allyloxy-2-hydroxybenzophenoneMethanone, [2-hydroxy-4-(2-propenyloxy)phenyl]phenyl-Methanone, (2-hydroxy-4-(2-propenyloxy)phenyl)phenyl-Methanone, (2-hydroxy-4-(2-propen-1-yloxy)phenyl)phenyl-Methanone, [2-hydroxy-4-(2-propen-1-yloxy)phenyl]phenyl-RefChem:517368607-738-82549-87-3(4-(Allyloxy)-2-hydroxyphenyl)(phenyl)methanone2-benzoyl-5-(prop-2-en-1-yloxy)phenol4-(allyloxy)-2-hydroxybenzophenoneMFCD00191713

Show more names

LABOTEST-BB LT001593044-Propyloxy-2-hydroxybenzophenone4-Allyloxy-2-hydroxybenzophenone >4-Allyloxy-2-hydroxybenzophenone 99%2-hydroxy-4-prop-2-enyloxybenzophenone(4-allyloxy-2-hydroxy-phenyl)-phenyl-methanone(2-hydroxy-4-prop-2-enoxy-phenyl)-phenyl-methanone

2-hydroxy-4-allyloxybenzophenone(2-hydroxy-4-prop-2-enoxyphenyl)-phenylmethanone2-hydroxy-4-prop-2-enyloxyphenyl phenyl ketoneOprea1_589349SCHEMBL93400DTXSID9062510SCHEMBL296446094-Allyloxy-2-hydroxy-benzophenone

Database identifiers

CAS: 2549-87-3
PubChem CID: 75689
DTXSID: DTXSID9062510
EC Number: 607-738-8
Nikkaji: J39.684B

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 307

Physicochemical properties

Melting point: 67 · 67-70 °C (lit.)
Boiling point: 178 °C/1mmHg · 178°C/1mmHg(lit.)
Density: 1.165 · 1.165±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Toluene
form: powder to crystal
pka: 7.63 · 7.63±0.35(Predicted)
color: Light orange to Yellow to Green
InChI: InChI=1S/C16H14O3/c1-2-10-19-13-8-9-14(15(17)11-13)16(18)12-6-4-3-5-7-12/h2-9,11,17H,1,10H2
InChIKey: GVZIBGFELWPEOC-UHFFFAOYSA-N
SMILES: C(C1=CC=C(OCC=C)C=C1O)(C1=CC=CC=C1)=O
EPA Substance Registry System: 2 · Methanone, [2-hydroxy-4-(2-propenyloxy)phenyl]phenyl- (2549-87-3)
UNSPSC Code: 41116107 · 41116107
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29145090 · 29145090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.