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Product No: AA6376

2-Methylfuran, 98%

Name: 2-Methylfuran
Brand: Chempure

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CAS Number

534-22-5

Molecular Weight

82.1

Formula

C5H6O

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IUPAC name	2-methylfuran
canonical smiles	CC1=CC=CO1
inchi	InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
inchi key	VQKFNUFAXTZWDK-UHFFFAOYSA-N
molecular formula	C5H6O
synonyms	2-METHYLFURAN 534-22-5 Silvan Methylfuran Sylvan
Compound Description	2-methylfuran appears as a clear colorless liquid with an ethereal odor. Flash point -22 °F. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air. 2-methylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group. It has a role as a human urinary metabolite, a hepatotoxic agent, a fuel, a flavouring agent and a plant metabolite. It is a member of furans and a volatile organic compound. 2-Methylfuran is a natural product found in Fusarium poae, Panax ginseng, and other organisms with data available.

Computed Properties

Molecular Weight:	82.10 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	82.041864811 g/mol
Monoisotopic Mass:	82.041864811 g/mol
Topological Polar Surface Area:	13.1 Å²
Heavy Atom Count:	6
Formal Charge:	0
Complexity:	43.2
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Toluene

Furfural

Furan

Dioxane

Chlorobenzene

Tetrahydrofuran

Pyridine

Pyrazole

N-Nitrosopiperidine

2,6-Dimethylpyridine

2-Methylpyridine

Benzenethiol

Methylcyclohexane

Cyclohexene oxide

Pyrazine

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (100%) Acute Tox. 3 (91.5%) Eye Irrit. 2 (21.25%) Acute Tox. 2 (20.58%) Acute Tox. 3 (78.75%) Flammable liquids - Category 2 Self-reactive substances and mixtures - Type G Acute toxicity (Inhalation: Vapours) - Category 2 Flammable - 3rd degree, Reactive - 1st degree
precautionary statement codes	P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P303+P361+P353, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P370+P378, P391, P403+P233, P403+P235, P405, and P501
hazard statements	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H301 (91.5%): Toxic if swallowed [Danger Acute toxicity, oral] H319 (21.25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H330 (20.58%): Fatal if inhaled [Danger Acute toxicity, inhalation] H331 (78.75%): Toxic if inhaled [Danger Acute toxicity, inhalation] H411 (19.46%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Causes liver changes and somnolence in inhalation studies of rats. Furan-substituted aliphatic hydrocarbons have not been evaluated for safe use as flavoring agents due to unresolved toxicological concerns, mainly being the carcinogenicity of furan in animal experiments. Contains 0.024% BHT (CAS# 128-37-0) as a stabilizer. May cause irritation. Toxic by inhalation. See Furan.

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Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-methylfuran
canonical smiles	CC1=CC=CO1
inchi	InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
inchi key	VQKFNUFAXTZWDK-UHFFFAOYSA-N
molecular formula	C5H6O
synonyms	2-METHYLFURAN 534-22-5 Silvan Methylfuran Sylvan
Compound Description	2-methylfuran appears as a clear colorless liquid with an ethereal odor. Flash point -22 °F. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air. 2-methylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group. It has a role as a human urinary metabolite, a hepatotoxic agent, a fuel, a flavouring agent and a plant metabolite. It is a member of furans and a volatile organic compound. 2-Methylfuran is a natural product found in Fusarium poae, Panax ginseng, and other organisms with data available.

Computed Properties

Molecular Weight:	82.10 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	82.041864811 g/mol
Monoisotopic Mass:	82.041864811 g/mol
Topological Polar Surface Area:	13.1 Å²
Heavy Atom Count:	6
Formal Charge:	0
Complexity:	43.2
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Toluene

Furfural

Furan

Dioxane

Chlorobenzene

Tetrahydrofuran

Pyridine

Pyrazole

N-Nitrosopiperidine

2,6-Dimethylpyridine

2-Methylpyridine

Benzenethiol

Methylcyclohexane

Cyclohexene oxide

Pyrazine

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (100%) Acute Tox. 3 (91.5%) Eye Irrit. 2 (21.25%) Acute Tox. 2 (20.58%) Acute Tox. 3 (78.75%) Flammable liquids - Category 2 Self-reactive substances and mixtures - Type G Acute toxicity (Inhalation: Vapours) - Category 2 Flammable - 3rd degree, Reactive - 1st degree
precautionary statement codes	P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P303+P361+P353, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P370+P378, P391, P403+P233, P403+P235, P405, and P501
hazard statements	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H301 (91.5%): Toxic if swallowed [Danger Acute toxicity, oral] H319 (21.25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H330 (20.58%): Fatal if inhaled [Danger Acute toxicity, inhalation] H331 (78.75%): Toxic if inhaled [Danger Acute toxicity, inhalation] H411 (19.46%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Causes liver changes and somnolence in inhalation studies of rats. Furan-substituted aliphatic hydrocarbons have not been evaluated for safe use as flavoring agents due to unresolved toxicological concerns, mainly being the carcinogenicity of furan in animal experiments. Contains 0.024% BHT (CAS# 128-37-0) as a stabilizer. May cause irritation. Toxic by inhalation. See Furan.

Product No: AA6376

2-Methylfuran, 98%

Product No: AA6376

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6376

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?