3-Butoxyphenol

HCID 87876

Notes Reactions

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Basic information

CAS: 18979-72-1
Standard SMILES: CCCCOc1cccc(O)c1
InChIKey: VGIJZDWQVCXVNL-UHFFFAOYSA-N
Molecular formula: C10H14O2
Average molar mass: 166.22 g/mol
Monoisotopic mass: 166.09937969

Names & identifiers

Preferred name: 3-Butoxyphenol
IUPAC: 3-butoxyphenol
English name: 3-Butoxyphenol
Molecular formula: C10H14O2
Molecular weight: 166.22

Names & synonyms

3-Butoxyphenol18979-72-1EINECS 242-715-2DTXSID70172405NSC 35992RefChem:499489DTXCID7094896242-715-2Phenol, 3-butoxy-Resorcinol Monobutyl EtherButylResorcinol-d9MFCD00058976

Show more names

butoxyphenolP-BUTOXYPHENOL4-BUTYLOXYPHENOL4-N-BUTYLOXYPHENOL3-Butoxyphenol >3-BUTOXYPHENOL 96+%4-NORMAL-BUTOXYPHENOL

NSC-35992m-butoxyphenol1190021-40-93-butoxy-phenol3-n-butoxyphenol3-Butoxyphenol #3-n-butyloxyphenolNSC35992

Database identifiers

CAS: 18979-72-1
PubChem CID: 87876
DTXSID: DTXSID70172405
UNII: WV88G9792E
EC Number: 242-715-2
Nikkaji: J150.339A

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 114

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

LogP3.03

Physicochemical properties

Melting point: 65 · 65-66 °C(lit.)
Boiling point: 269 °C · 269 °C
Density: 1 · 1,05 g/cm3
refractive index: 1.523 · 1.5230-1.5260
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 9.61 · 9.61±0.10(Predicted)
color: Colorless to Light orange to Yellow
Water Solubility: 1.37 g/L · 1.37g/L(30 ºC)
InChIKey: VGIJZDWQVCXVNL-UHFFFAOYSA-N
CAS DataBase Reference: 18979 · 18979-72-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-40-41-43-52/53
Safety Statements: 26 · 26-36/37/39-61
RIDADR: 1760 · 1760
WGK Germany: 3 · 3
HS Code: 2909500090 · 2909500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
ridadr: 1760
hs_code: 2909500090
risk_code: 22-37/38-40-41-43-52/53
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37/39-61
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313