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28588-74-1

Basic Information
CAS No.: 28588-74-1
Name: 2-Methyl-3-furanthiol
Article Data: 9
Molecular Structure:
Molecular Structure of 28588-74-1 (2-Methyl-3-furanthiol)
Formula: C5H6OS
Molecular Weight: 114.168
Synonyms: 2-Methyl-3-furylthiol;2-Methyl-3-mercaptofuran;Oxycyclothione 030;2-Methyl-3-mercapofuran;
EINECS: 249-094-7
Density: 1.129 g/cm3
Boiling Point: 146.7 °C at 760 mmHg
Flash Point: 42.5 °C
Appearance: colorless to light yellow liquid
Hazard Symbols: ToxicT,VeryT+
Risk Codes: 10-25-36-26
Safety: S16;S26;S28;S38;S39;S45
Transport Information: UN 1228 3/PG 3
PSA: 51.94000
LogP: 1.87670
Synthetic route
141-46-8

Glycolaldehyde

24653-75-6

1-mercaptopropan-2-one

A

98-02-2

2-thiolomethyl-furan

B

28588-74-1

2-methylfuran-3-thiol

Conditions
ConditionsYield
In water Product distribution; var. pH; other carbohydrates;
50-69-1

D-ribose

A

67633-97-0

3-mercapto-2-pentanone

B

98-02-2

2-thiolomethyl-furan

C

28588-74-1

2-methylfuran-3-thiol

D

3-<(2-methyl-3-furyl)dithio>-2-pentanone

Conditions
ConditionsYield
With rac-cysteine In phosphate buffer at 95℃; for 4h; pH=5.00; Product distribution; Maillard reaction;
149428-24-0

2-methylfur-3-yl thiocyanate

28588-74-1

2-methylfuran-3-thiol

Conditions
ConditionsYield
With sodium borohydrid In methanol; water
3188-00-9

2-methyltetrahydrofuran-3-one

A

2-methyl[4,5H]-dihydrofuran-3-thiol

2-methyl[4,5H]-dihydrofuran-3-thiol

B

28588-74-1

2-methylfuran-3-thiol

Conditions
ConditionsYield
With hydrogenchloride; hydrogen sulfide; sodium hydrogencarbonate In diethyl ether; diethylene glycol dimethyl ether; water
52-90-4

L-Cysteine

1262683-58-8

[13C5]xylose

59-43-8

vitamin B1

A

3188-00-9

2-methyltetrahydrofuran-3-one

B

40789-98-8

3-mercapto-2-butanone

C

67633-97-0

3-mercapto-2-pentanone

D

(13)C5H4O2

E

(13)C5H10OS

F

(13)C5H6OS

G

(13)C5H6OS

H

(13)C6H8OS

I

63012-97-5

2-methyl-3-(methylthio)furan sulphide

J

28588-74-1

2-methylfuran-3-thiol

Conditions
ConditionsYield
at 145℃; for 0.333333h; pH=5; Maillard reaction; aq. phosphate buffer;
52-90-4

L-Cysteine

1262683-58-8

[13C5]xylose

59-43-8

vitamin B1

A

3188-00-9

2-methyltetrahydrofuran-3-one

B

40789-98-8

3-mercapto-2-butanone

C

67633-97-0

3-mercapto-2-pentanone

D

(13)C5H10OS

E

(13)C5H6OS

F

(13)C5H6OS

G

C(13)C5H8OS

H

(13)C6H8OS

I

63012-97-5

2-methyl-3-(methylthio)furan sulphide

J

28588-74-1

2-methylfuran-3-thiol

Conditions
ConditionsYield
at 145℃; for 0.333333h; pH=6; Maillard reaction; aq. phosphate buffer;
1262683-58-8

[13C5]xylose

59-43-8

vitamin B1

A

74015-70-6, 13679-85-1

4,5-Dihydro-2-methylthiophen-3-(2H)-on

B

137-00-8

5-hydroxyethyl-4-methylthiazole

C

3188-00-9

2-methyltetrahydrofuran-3-one

D

40789-98-8

3-mercapto-2-butanone

E

67633-97-0

3-mercapto-2-pentanone

F

(13)C5H10OS

G

(13)C5H6OS

H

28588-74-1

2-methylfuran-3-thiol

Conditions
ConditionsYield
With L-Cysteine at 145℃; for 0.333333h; pH=7; Maillard reaction; aq. phosphate buffer;
58-86-6

D-xylose

52-90-4

L-Cysteine

59-43-8

vitamin B1

A

98-01-1

furfural

B

137-00-8

5-hydroxyethyl-4-methylthiazole

C

3188-00-9

2-methyltetrahydrofuran-3-one

D

40789-98-8

3-mercapto-2-butanone

E

67633-97-0

3-mercapto-2-pentanone

F

98-02-2

2-thiolomethyl-furan

G

63012-97-5

2-methyl-3-(methylthio)furan sulphide

H

28588-74-1

2-methylfuran-3-thiol

Conditions
ConditionsYield
at 145℃; for 0.333333h; pH=4; Maillard reaction; aq. phosphate buffer;
at 145℃; for 0.333333h; pH=5.5; Maillard reaction; aq. phosphate buffer;
at 145℃; for 0.333333h; pH=5; Maillard reaction; aq. phosphate buffer;
58-86-6

D-xylose

52-90-4

L-Cysteine

59-43-8

vitamin B1

A

74015-70-6, 13679-85-1

4,5-Dihydro-2-methylthiophen-3-(2H)-on

B

137-00-8

5-hydroxyethyl-4-methylthiazole

C

3188-00-9

2-methyltetrahydrofuran-3-one

D

40789-98-8

3-mercapto-2-butanone

E

67633-97-0

3-mercapto-2-pentanone

F

98-02-2

2-thiolomethyl-furan

G

63012-97-5

2-methyl-3-(methylthio)furan sulphide

H

28588-74-1

2-methylfuran-3-thiol

Conditions
ConditionsYield
at 145℃; for 0.333333h; pH=6; Maillard reaction; aq. phosphate buffer;
58-86-6

D-xylose

59-43-8

vitamin B1

A

74015-70-6, 13679-85-1

4,5-Dihydro-2-methylthiophen-3-(2H)-on

B

137-00-8

5-hydroxyethyl-4-methylthiazole

C

3188-00-9

2-methyltetrahydrofuran-3-one

D

40789-98-8

3-mercapto-2-butanone

E

67633-97-0

3-mercapto-2-pentanone

F

28588-74-1

2-methylfuran-3-thiol

Conditions
ConditionsYield
With L-Cysteine at 145℃; for 0.333333h; pH=7; Maillard reaction; aq. phosphate buffer;
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    CAS 28588-74-1 2-Methyl-3-furanthiol

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Chemistry

Molecular Structure of 3-Furanthiol, 2-methyl- (CAS NO.28588-74-1):

IUPAC Name: 2-Methylfuran-3-thiol
Canonical SMILES: CC1=C(C=CO1)S
InChI: InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
InChIKey: RUYNUXHHUVUINQ-UHFFFAOYSA-N
Molecular Weight: 114.16554 [g/mol]
Molecular Formula: C5H6OS
XLogP3-AA: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 1 
EINECS: 249-094-7
storage temp.: Freezer (-20 °C)
Appearance: Colorless to light yellow liquid
Index of Refraction: 1.536
Molar Refractivity: 31.55 cm3
Molar Volume: 101.1 cm3
Surface Tension: 35.8 dyne/cm
Density: 1.129 g/cm3
Flash Point: 42.5 °C
Enthalpy of Vaporization: 36.79 kJ/mol
Boiling Point: 146.7 °C at 760 mmHg
Vapour Pressure: 5.78 mmHg at 25 °C
Product Categories: THIOL; Furan & Benzofuran; thiol Flavor; Alphabetical Listings; Flavors and Fragrances; M-N; Building Blocks; Furans; Heterocyclic Building Blocks; Sulfides flavors

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 100mg/kg (100mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Safety Profile

Safety Information of 3-Furanthiol, 2-methyl- (CAS NO.28588-74-1):
Hazard Codes: ToxicT,VeryT+
Risk Statements: 10-25-36-26 
R10:Flammable. 
R25 :Toxic if swallowed. 
R26:Very toxic by inhalation. 
R36:Irritating to eyes.
Safety Statements: 16-45-39-38-28-26 
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S28:After contact with skin, wash immediately with plenty of soap-suds.
S38:In case of insufficient ventilation, wear suitable respiratory equipment. 
S39:Wear eye / face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 1228 3/PG 3
WGK Germany: 3
RTECS: LU6235000
HazardClass: 3.2
PackingGroup: III

Specification

 3-Furanthiol, 2-methyl- (CAS NO.28588-74-1), its Synonyms are 2-Methyl-3-furanthiol ; 2-Methyl-3-furylmercaptan ; 2-Methyl-3-furylthiol ; 2-Methyl-3-mercaptofuran .