ChemicalBook--->CAS DataBase List--->97-99-4

97-99-4

97-99-4 Structure

97-99-4 Structure
IdentificationMore
[Name]

Tetrahydrofurfuryl alcohol
[CAS]

97-99-4
[Synonyms]

FEMA 3056
HPTHFA
LABOTEST-BB LT02056580
TETRAHYDRO-2-FURANCARBINOL
TETRAHYDRO-2-FURANMETHANOL
(+/-)-TETRAHYDROFURFURYL ALCOHOL
TETRAHYDROFURFURYL ALCOHOL
THFA
THFA(R)
(tetrahydro-furan-2-yl)-methanol
2-Furanmethanol,tetrahydro-
2-Hydroxymethyl-Tetrahydrofuran
alpha-Tetrahydrofurfuryl alcohol
Furfuryl alcohol, tetrahydro-
Oxolan-2-methanol
Qo tetrahydrofurfuryl alcohol
Qo thfa
qothfa
tetrahydro-2-furanmethano
Tetrahydro-2-furanylmethanol
[EINECS(EC#)]

202-625-6
[Molecular Formula]

C5H10O2
[MDL Number]

MFCD00005372
[Molecular Weight]

102.13
[MOL File]

97-99-4.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless to light yellow liqui
[Melting point ]

-80 °C (lit.)
[Boiling point ]

178 °C (lit.)
[density ]

1.0543
[vapor density ]

3.52 (vs air)
[vapor pressure ]

2.3 mm Hg ( 39 °C)
[FEMA ]

3056
[refractive index ]

n20/D 1.452(lit.)
[Fp ]

183 °F
[storage temp. ]

Store below +30°C.
[solubility ]

acetone: miscible(lit.)
[form ]

Liquid
[pka]

14.44±0.10(Predicted)
[color ]

Clear
[Odor]

at 100.00 %. vegetable cauliflower faint warm oily caramel
[biological source]

synthetic
[explosive limit]

1.5-9.7%(V)
[Odor Type]

vegetable
[Water Solubility ]

soluble
[Sensitive ]

Hygroscopic
[JECFA Number]

1443
[Merck ]

14,9213
[BRN ]

102723
[Henry's Law Constant]

4.4×101 mol/(m3Pa) at 25℃, Yaws (2003)
[Dielectric constant]

13.48
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

FRAGRANCE
SOLVENT
[InChI]

1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
[InChIKey]

BSYVTEYKTMYBMK-UHFFFAOYSA-N
[SMILES]

OCC1CCCO1
[LogP]

-0.14 at 24.7℃
[Uses]

Solvent for vinyl resins; dyes for leather; chlorinated rubber; cellulose esters; solvent softener for nylon; vegetable oils; coupling agent; organic synthesis.
[CAS DataBase Reference]

97-99-4(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Furanmethanol, tetrahydro-(97-99-4)
[EPA Substance Registry System]

97-99-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H319-H360Df
[Precautionary statements ]

P201-P202-P264-P280-P305+P351+P338-P308+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36:Irritating to the eyes.
[Safety Statements ]

S39:Wear eye/face protection .
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

2
[RTECS ]

LU2450000
[Autoignition Temperature]

282 °C
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29321300
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Eye Irrit. 2
Repr. 1B
[Hazardous Substances Data]

97-99-4(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 1600 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen-->Furfural-->Furfuryl alcohol-->1,4-Pentanediol-->5-hydroxyvaleric acid-->Furan-->3-Acetyl-1-propanol-->1,2-Pentanediol-->2-Pentanol-->beta-D-Xylopyranose (9CI)
[Preparation Products]

Deflazacort-->(R)-(+)-Tetrahydro-2-furoic acid-->1-Tetrahydrofurfuryl-piperazine-->3,4-Dihydro-2H-pyran-->Tetrahydrofurfuryl bromide-->1,5-Pentanediol-->Tetrahydrofurfuryl chloride-->2-(Aminomethyl)-1-ethylpyrrolidine-->Tetrahydrofurfuryl acetate-->2-Methyltetrahydrofuran-->Tetrahydro-2-furancarboxaldehyde
Hazard InformationBack Directory
[General Description]

A clear colorless liquid with a mild odor. Flash point 167°F. Vapors are heavier than air.
[Reactivity Profile]

Acetyl bromide reacts violently with alcohols or water [Merck 11th ed. 1989]. Mixtures of alcohols with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. Example: An explosion will occur if dimethylbenzylcarbinol is added to 90% hydrogen peroxide then acidified with concentrated sulfuric acid. Mixtures of ethyl alcohol with concentrated hydrogen peroxide form powerful explosives. Mixtures of hydrogen peroxide and 1-phenyl-2-methyl propyl alcohol tend to explode if acidified with 70% sulfuric acid [Chem. Eng. News 45(43):73. 1967; J, Org. Chem. 28:1893. 1963]. Alkyl hypochlorites are violently explosive. They are readily obtained by reacting hypochlorous acid and alcohols either in aqueous solution or mixed aqueous-carbon tetrachloride solutions. Chlorine plus alcohols would similarly yield alkyl hypochlorites. They decompose in the cold and explode on exposure to sunlight or heat. Tertiary hypochlorites are less unstable than secondary or primary hypochlorites [NFPA 491 M 1991]. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence [Wischmeyer 1969].
[Air & Water Reactions]

Denser than water and soluble in water.
[Health Hazard]

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
[Chemical Properties]

Colorless to light yellow liqui
[Chemical Properties]

Tetrahydrofurfuryl alcohol has a faint, warm, oily, caramellic odor with a coffee and nut-like flavor at very low levels (0.03 to 1 ppm).
[Occurrence]

Reported found in shoyu (fermented soya hydrolysate), coffee and fresh mango.
[Application]

Tetrahydrofurfuryl alcohol (THFA) is generally regarded as a "green" solvent in industrial applications. THFA is a low cost, biodegradable solvent mainly used as a reactive diluent for epoxy resins and is a good solvent for many of the curative and catalysts used in epoxy formulations. It is also used in the following applications:
Tetrahydrofurfuryl alcohol undergoes chemoselective hydrogenolysis catalyzed by Rh/SiO2 modified with ReOx species to yield 1,5-pentanediol. It undergoes lanthanum-mediated Michael-type addition reaction with maleate to form alkoxybutanedioic acid.
Tetrahydrofurfuryl alcohol was used as refractive-index matching solvent to ensure hard sphere suspension of silica particles for rheological measurements.
Tetrahydrofurfuryl alcohol may be used as an analytical reference standard for the quantification of the analyte in rats and smoke flavoring from rice husk using chromatography techniques.
[Definition]

ChEBI: Tetrahydrofurfuryl alcohol is a primary alcohol that is methanol in which one of the hydrogens of the methyl group has been replaced by a tetrahydrofuran-2-yl group. It has a role as a protic solvent. It is a primary alcohol and a member of oxolanes.
[Preparation]

By catalytic reduction of furfural with Raney-Ni; also by destructive hydrogenation of lignin.
[Flammability and Explosibility]

Notclassified(100%)
[Carcinogenicity]

Tetrahydro-2-furanmethanol was not mutagenic to S. typhimurium strains TA100, TA1535, TA1537, or TA98 in an in vitro gene mutation assay or to E. coliWP2uvrA/pKM101 with or withoutmetabolic activation. No chromosomal aberrations or polypoidy were observed when tetrahydro-2-furanmethanol was added to cultured Chinese hamster lung cells with or without metabolic activation .
[Toxics Screening Level]

The Initial Threshold Screening Level (ITSL) for tetrahydrofuryl methanol (THM) is 52 μg/m3 based on an annual averaging time.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

THFA(97-99-4).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Tetrahydrofurfuryl alcohol(97-99-4)MS
Tetrahydrofurfuryl alcohol(97-99-4)1HNMR
Tetrahydrofurfuryl alcohol(97-99-4)13CNMR
Tetrahydrofurfuryl alcohol(97-99-4)IR1
Tetrahydrofurfuryl alcohol(97-99-4)IR2
Tetrahydrofurfuryl alcohol(97-99-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Tetrahydrofurfuryl alcohol, 98%(97-99-4)
[Alfa Aesar]

(+/-)-Tetrahydrofurfuryl alcohol, 98%(97-99-4)
[Sigma Aldrich]

97-99-4(sigmaaldrich)
[TCI AMERICA]

Tetrahydrofurfuryl Alcohol,>97.0%(GC)(97-99-4)
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