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

2-Methyl-3-furanthiol 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
at 145℃; for 0.333333h; pH=5; Maillard reaction; aq. phosphate buffer;

...Expand

: 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

Conditions	Yield
at 145℃; for 0.333333h; pH=6; Maillard reaction; aq. phosphate buffer;

...Expand

: 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

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

...Expand

: 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

Conditions	Yield
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;

...Expand

: 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

Conditions	Yield
at 145℃; for 0.333333h; pH=6; Maillard reaction; aq. phosphate buffer;

...Expand

: 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

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

...Expand

2-Methyl-3-furanthiol Chemical Properties

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

2-Methyl-3-furanthiol 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.

2-Methyl-3-furanthiol Safety Profile

Safety Information of 3-Furanthiol, 2-methyl- (CAS NO.28588-74-1):
Hazard Codes: Toxic T, Very T+
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

2-Methyl-3-furanthiol 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 .

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