1-(2-Furyl)ethanol

HCID 107243

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Basic information

CAS: 4208-64-4
Standard SMILES: CC(O)c1ccco1
InChIKey: UABXUIWIFUZYQK-UHFFFAOYSA-N
Molecular formula: C6H8O2
Average molar mass: 112.13 g/mol
Monoisotopic mass: 112.0524295

Overview

structure in first source

Names & identifiers

Preferred name: 1-(2-Furyl)ethanol
IUPAC: 1-(furan-2-yl)ethanol
English name: 1-(2-FURYL)ETHAN-1-OL
Molecular formula: C6H8O2
Molecular weight: 112.13

Names & synonyms

1-(2-furyl)ethanolRefChem:4727804208-64-41-(furan-2-yl)ethanol1-(2-furyl)ethan-1-ol1-(Furan-2-Yl)Ethan-1-Ol1-Furan-2-yl-ethanolMethylfurfuryl alcohol(+/-)-1-(2-Furyl)ethanol2-Furanmethanol, .alpha.-methyl-MFCD00077775(S)-()-1-(2-Furyl)ethanol

Show more names

alpha-methyl-2-furanmethanoA-2-FURYLETHANOL1-(FUR-2-YL)ETHANOL1-(2-Furanyl)ethanol1-(2-Furyl)-1-ethanolDL-1-(2-FURYL)ETHANOL(±)-1-(2-Furyl)ethanolFlorfenicol Impurity 36α-Methylfurfuryl alcohol

55664-77-285828-09-7( inverted exclamation markA)-1-(2-Furyl)ethanolalpha-Methylfuran-2-methanol(1R)-1-(2-furyl)ethanol(1S)-1-(2-furyl)ethanol2-Furanmethanol, methyl-1-furylethanol

Database identifiers

CAS: 4208-64-4、55664-77-2
PubChem CID: 107243
DTXSID: DTXSID30863342
EC Number: 224-130-4
Nikkaji: J28.169G

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 33.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 72.9

Physicochemical properties

Melting point: 73 · 73-74℃
Boiling point: 167 · 167-170 °C
Density: 1.078 g/mL · 1.078 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.479
Flash point: 35 ℃ · 35℃
storage temp.: 2 · 2-8°C
solubility: Chloroform (Soluble), Ethyl Acetate (Slightly)
pka: 14.09 · 14.09±0.20(Predicted)
form: Liquid
color: Clear colorless to light yellow
BRN: 107814 · 107814
InChI: 1S/C6H8O2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3
InChIKey: UABXUIWIFUZYQK-UHFFFAOYSA-N
SMILES: CC(O)c1ccco1
CAS DataBase Reference: 4208 · 4208-64-4(CAS DataBase Reference)
EPA Substance Registry System: 2 · 2-Furanmethanol, .alpha.-methyl- (4208-64-4)
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
PPE: Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 36 · 36/37/39-26-23
WGK Germany: 3 · 3
F: 8 · 8-10-23
TSCA: TSCA listed
HS Code: 29321300 · 29321300
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Hazard information

Regulatory InformationChemical: 2-Furanmethanol, .alpha.-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Safety data

F: 8-10-23
PPE: Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29321300
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 36/37/39-26-23
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Furanmethanol, .alpha.-methyl-: INACTIVE

Applications · 3 items

Uses1-(2-Furyl)ethanol is an intermediate in the synthesis of 2H-Furo[2,3-c]pyran-2-one derivatives of their germination-promoting activity.

Uses(±)-1-(2-Furyl)ethanol (Racemic 1-(2-furyl)ethanol) may be used in the synthesis of 1-acetoxy-1-[2-furyl]ethan.

General Description(±)-1-(2-Furyl)ethanol [(±)-2-Furyl methyl carbinol] is a furan derivative. The synthesis of 4-hydroxy-2-methylcyclopent-2-en-1-one from 2-furyl methyl carbinol has been reported.