98-00-0

Name Furfuryl alcohol
CAS 98-00-0
EINECS(EC#) 202-626-1
Molecular Formula C5H6O2
MDL Number MFCD00003252
Molecular Weight 98.1
MOL File 98-00-0.mol

Chemical Properties

Appearance Furfural alcohol is a colorless to amber liquid that darkens on exposure to light. It has a faint, burning odor.
Melting point  -29 °C (lit.)
Boiling point  170 °C (lit.)
density  1.135 g/mL at 25 °C(lit.)
vapor density  3.4 (vs air)
vapor pressure  0.5 mm Hg ( 20 °C)
FEMA  2491
refractive index  n20/D 1.486(lit.)
Fp  149 °F
storage temp.  2-8°C
solubility  alcohol: soluble
form  Liquid
pka 14.02±0.10(Predicted)
color  Clear yellow
Odor Mildly irritating.
PH 6 (300g/l, H2O, 20℃)
biological source synthetic
explosive limit 1.8-16.3%(V)
Odor Threshold 8 ppm
Odor Type bready
Water Solubility  MISCIBLE
FreezingPoint  -29℃
Specific Heat Capacity Cp(liquid):204J/(g·K),at 25℃
Thermal Conductivity 0.179 W/(m·K) at 25 ℃
JECFA Number 451
Merck  14,4305
BRN  106291
Henry's Law Constant 1.3×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Exposure limits NIOSH REL: TWA 10 ppm (40 mg/m3), STEL 15 ppm (60 mg/m3), IDLH 75 ppm; OSHA PEL: TWA 50 ppm; ACGIH TLV: TWA 10 ppm, STEL 15 ppm (adopted).
Major Application cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
InChI 1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
InChIKey XPFVYQJUAUNWIW-UHFFFAOYSA-N
SMILES OCc1ccco1
LogP 0.3 at 25℃
Surface tension 39.6mN/m at 293.15K
CAS DataBase Reference 98-00-0(CAS DataBase Reference)
IARC 2B (Vol. 119) 2019
NIST Chemistry Reference 2-Furanmethanol(98-00-0)
EPA Substance Registry System 98-00-0(EPA Substance)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
Signal word  Danger
Hazard statements  H302+H312-H319-H331-H335-H351-H373
Precautionary statements  P280-P301+P312-P302+P352+P312-P304+P340+P311-P305+P351+P338-P308+P313
Hazard Codes  Xn,T
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
OEB A
OEL TWA: 10 ppm (40 mg/m3), STEL: 15 ppm (60 mg/m3) [skin]
RIDADR  UN 2874 6.1/PG 3
WGK Germany  1
RTECS  LU9100000
F  8
Autoignition Temperature 915 °F
TSCA  Yes
REACH Registrations Active
HazardClass  6.1
PackingGroup  III
HS Code  2932 13 00
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Inhalation
Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Carc. 2
Eye Irrit. 2
STOT RE 2 Inhalation
STOT SE 3
Safety Profile
Poison by ingestion, skin contact, and subcutaneous routes.Moderately toxic by inhalation and intraperitoneal routes. Mutation data reported. An eye irritant. Flammable when exposed to heat or flame; can react with oxidtzing materials. Moderate explosion hazard when exposed to heat or flame. Reacts violently with acids (e.g., formic acid, cyanoacetic acid + heat). Ignites on contact with 85% hydrogen peroxide. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes.
Hazardous Substances Data 98-00-0(Hazardous Substances Data)
Toxicity
LC50 (4 hr) in rats: 233 ppm (Jacobson)
IDLA 75 ppm
IDLH 75 ppm

Hazard Information

Material Safety Data Sheet(MSDS)

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