CAS 4412-91-3|(Fur-3-yl)methanol|3-hydroxymethylfuran|3-(Hydroxymethyl)furan|furan-3-ylmethanol|3-FURANMETHANOL|3-Furylmethanol|3-呋喃甲醇|3-(Hydroxymethyl)furan|呋喃-3-甲醇|furan-3-ylmethanol|Furan...

Molecular Formula

C₅H₆O₂

Molecular Mass

98.09994

Exact Mass

98.03677943

InChI

InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2

InChIKey

STJIISDMSMJQQK-UHFFFAOYSA-N

Canonic Smiles

OCc1cocc1

Isomeric Smiles

o1cc(cc1)CO

JChem

Acid pKa

14.41085

H Acceptors

H Donor

LogD (pH = 5.5)

0.34614158

LogD (pH = 7.4)

0.34614152

Log P

0.34614158

Molar Refractivity

25.3873

Polarizability

9.672167

Polar Surface Area

33.37

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

20449

Synonyms

(Fur-3-yl)methanol3-(Hydroxymethyl)furan3-FURANMETHANOL3-Furylmethanol3-呋喃甲醇3-(Hydroxymethyl)furan呋喃-3-甲醇furan-3-ylmethanolFuran-3-methanol

IUPAC Traditional name

3-hydroxymethylfuran

IUPAC name

furan-3-ylmethanol (furan-3-yl)methanol

MDL Number

CAS Number

Beilstein Number

MSDS Link

Storage Warning

IRRITANT

Flammable/Irritant/Air Sensitive

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

P261-P305+P351+P338

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

UN 1987 3/PG 3

H226-H315-H319-H335

Physical Property

Product Information

No Data Available

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No Data Available

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Sigma Aldrich

196398

Packaging
5, 25 g in glass bottle

48065

Caution
may discolor to yellow on storage

No Data Available

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Academic Data

PubChem

20449

Synonyms

(Fur-3-yl)methanol3-(Hydroxymethyl)furan3-FURANMETHANOL3-Furylmethanol3-呋喃甲醇3-(Hydroxymethyl)furan呋喃-3-甲醇furan-3-ylmethanolFuran-3-methanol

IUPAC Traditional name

3-hydroxymethylfuran

IUPAC name

furan-3-ylmethanol (furan-3-yl)methanol

MDL Number

CAS Number

Beilstein Number

196398

Packaging
5, 25 g in glass bottle

48065

Caution
may discolor to yellow on storage

No Data Available

Click here to submit data

Safety Information

Physical Property

Product Information

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Hydrophobicity(logP)

0.28

Melting Point

163 - 165°C

Molecule

ID:59389