2,5-DIMETHYLFURAN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H8O
Molecular Weight	96.1271
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,5-DIMETHYLFURAN

SMILES

CC1=CC=C(C)O1

InChI

InChIKey=GSNUFIFRDBKVIE-UHFFFAOYSA-N

InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C6H8O
Molecular Weight	96.1271
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Photosensitizing activity of thiocolchicoside: photochemical and in vitro phototoxicity studies.	2001 Jan	11210677
Volatile organic compounds as breath biomarkers for active and passive smoking.	2002 Jul	12117646
Photodegradation pathways and the in vitro phototoxicity of pyrazinamide, a phototoxic antitubercular drug.	2003 Dec 5	14644570
Asymmetric organocatalysis of 4 + 3 cycloaddition reactions.	2003 Feb 26	12590528
Comparison of breath, blood and urine concentrations in the biomonitoring of environmental exposure to 1,3-butadiene, 2,5-dimethylfuran, and benzene.	2003 Jul	12687377

Showing 1 to 5 of 21 entries

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Patents

Substance Class	Chemical
Record UNII	DR5HL9OJ7Y
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

2,5-DIMETHYLFURAN

Systematic Name

English

DIMETHYLFURAN, 2,5-

Systematic Name

English

2,5-DIMETHYL FURAN

Systematic Name

English

NSC-6220

Code

English

FEMA NO. 4106

Code

English

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Show entries

Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

2,5-DIMETHYLFURAN

Showing 1 to 1 of 1 entries

Show entries

Code System

Code

Type

Description

PUBCHEM

12266

PRIMARY

FDA UNII

DR5HL9OJ7Y

PRIMARY

MERCK INDEX

m4538

PRIMARY

Merck Index

CAS

625-86-5

PRIMARY

NSC

6220

PRIMARY

Showing 1 to 5 of 10 entries

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