2-methyl-3-tetrahydrofuran thiol

2-methyl-3-tetrahydrofuran thiol

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IUPAC name :

2-methyloxolane-3-thiol

InChI :

InChI=1/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3

InChIKey :

DBPHPBLAKVZXOY-UHFFFAOYAJ

SMILES :

CC1C(CCO1)S

(EINECS) number :	260-572-4
cas number :	57124-87-5
fema number :	3787
jecfa number :	1090
fl. number :	13.160
molar refractivity :	32.69 ± 0.4 cm3
parachor :	269.8 ± 6.0 cm3
index of refraction :	1.484 ± 0.03
surface tension :	31.1 ± 5.0 dyne/cm
density :	1.03 ± 0.1 g/cm3
polarizability :	12.96 ± 0.5 10-24cm3
xlogp :	1.20
molecular weight :	118.1973000
formula :	C5 H10 O S

IUPAC name :

(2R,3R)-2-methyloxolane-3-thiol

InChI :

InChI=1/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3/t4-,5-/m1/s1

InChIKey :

DBPHPBLAKVZXOY-RFZPGFLSBC

SMILES :

C[C@@H]1[C@@H](CCO1)S

cas number :	57124-87-5 (RR)
molar refractivity :	32.69 ± 0.4 cm3
parachor :	269.8 ± 6.0 cm3
index of refraction :	1.484 ± 0.03
surface tension :	31.1 ± 5.0 dyne/cm
density :	1.03 ± 0.1 g/cm3
polarizability :	12.96 ± 0.5 10-24cm3
xlogp :	1.20
molecular weight :	118.1973000
formula :	C5 H10 O S

IUPAC name :

(2R,3S)-2-methyloxolane-3-thiol

InChI :

InChI=1/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1

InChIKey :

DBPHPBLAKVZXOY-UHNVWZDZBS

SMILES :

C[C@@H]1[C@H](CCO1)S

cas number :	57124-87-5 (RS)
molar refractivity :	32.69 ± 0.4 cm3
parachor :	269.8 ± 6.0 cm3
index of refraction :	1.484 ± 0.03
surface tension :	31.1 ± 5.0 dyne/cm
density :	1.03 ± 0.1 g/cm3
polarizability :	12.96 ± 0.5 10-24cm3
xlogp :	1.20
molecular weight :	118.1973000
formula :	C5 H10 O S

IUPAC name :

(2S,3R)-2-methyloxolane-3-thiol

InChI :

InChI=1/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1

InChIKey :

DBPHPBLAKVZXOY-CRCLSJGQBB

SMILES :

C[C@H]1[C@@H](CCO1)S

cas number :	57124-87-5 (SR)
molar refractivity :	32.69 ± 0.4 cm3
parachor :	269.8 ± 6.0 cm3
index of refraction :	1.484 ± 0.03
surface tension :	31.1 ± 5.0 dyne/cm
density :	1.03 ± 0.1 g/cm3
polarizability :	12.96 ± 0.5 10-24cm3
xlogp :	1.20
molecular weight :	118.1973000
formula :	C5 H10 O S

IUPAC name :

(2S,3S)-2-methyloxolane-3-thiol

InChI :

InChI=1/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3/t4-,5-/m0/s1

InChIKey :

DBPHPBLAKVZXOY-WHFBIAKZBO

SMILES :

C[C@H]1[C@H](CCO1)S

cas number :	57124-87-5 (SS)
molar refractivity :	32.69 ± 0.4 cm3
parachor :	269.8 ± 6.0 cm3
index of refraction :	1.484 ± 0.03
surface tension :	31.1 ± 5.0 dyne/cm
density :	1.03 ± 0.1 g/cm3
polarizability :	12.96 ± 0.5 10-24cm3
xlogp :	1.20
molecular weight :	118.1973000
formula :	C5 H10 O S

export tariff code :

2932.19.0000

fda reg :

unspecified

Suppliers :

Fontarome Chemical :

2-METHYLTETRAHYDROFURAN-3-THIOL

2-Methyl-3-tetrahydrofuranthiol
≥98%, NI, Kosher

Oxford Chemicals Ltd :

TETRAHYDRO-2-METHYLFURAN-3-THIOL
≥97.00%, NI, Kosher

Sigma-Aldrich-SAFC :

2-Methyl-3-tetrahydrofuranthiol
≥97%, FG, mixture of cis and trans, Kosher

Methyl tetrahydrofuranthiole

2-Methyl tetrahydrofuran-3-thiol

organoleptics :

odor type :

meaty

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

roasted beef chicken meat sulfury

properties :

appearence :

colorless to pale yellow clear liquid

assay :

97.00 to 100.00 % sum of isomers

Food Chemicals Codex Listed :

No

specific gravity :

1.04000 @ 25.00 °C.

refractive index :

1.48700 @ 20.00 °C.

boiling point :

163.00 to 168.00 °C. @ 760.00 mm Hg

logp :

0.62

safety :

most important hazard(s) :

Xi - Irritant

Oral Toxicity(LD50) :

Gavage-Mouse 1860.00 mg/kg (Oser, 1970c)

Dermal Toxicity(LD50) :

Not determined

Maximised Survey-derived Daily Intakes (MSDI-EU) :

3.50 (μg/capita/day)

flash point ( Deg. F. ) :

124.00 °F. TCC ( 51.11 °C. )

recommendation for 2-methyl-3-tetrahydrofuran thiol usage levels up to :

not for fragrance use.

safety links :

(EINECS) number :

chemidplus :

EPA Substance Registry Services :

NLM Chemical Carcinogenesis Research Information System :

NLM Developmental and Reproductive Toxicity :

NLM Env. Mutagen Info. Center :

NLM GENetic TOXicology :

EPI System :

other :

references :

jecfa number :

fl. number :

pubchem :

pubchem :

pubchem :

pubchem :

pubchem :

synonyms :
	meaty mercaptan
2-	methyl tetrahydrofuran-3-thiol
	methyl tetrahydrofuranthiole
2-	methyl-3-mercaptotetrahydrofuran
2-	methyl-3-tetrahydrofuran thiol
2-	methyl-3-tetrahydrofuranthiol
	tetrahydro-2-methyl-3-furan thiol
	tetrahydro-2-methyl-3-furanthiol
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
4-	acetyl-2-methyl pyrimidine
2-	acetyl-2-thiazoline
4-	allyl-2,6-dimethoxyphenol
4-	aminobutyric acid
	amyl mercaptan
	bacon dithiazine
	benzyl methyl sulfide
1,3-	butane dithiol
2,3-	butane dithiol
2-(2-	butyl)-4,5-dimethyl-3-thiazoline
	butyraldehyde
	coffee difuran
	cyclopropyl (E,Z)-2,6-nonadienamide
2,5-	diethyl thiazole
3,5-	diethyl-2-methyl pyrazine
2,5-	diethyl-3-methyl pyrazine
	difurfuryl sulfide
2,5-	dihydroxy-1,4-dithiane
N-(2,4-	dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N-(2-(3,4-	dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
2,5-	dimethyl furan
	dimethyl tetrasulfide
2,4-	dimethyl thiazole
2,6-	dimethyl thiophenol
	dimethyl trisulfide
4,5-	dimethyl-2-ethyl-3-thiazoline
6,8-	dimethyl-2-nonanol
3,7-	dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,6-	dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
2,5-	dimethyl-3-furan thiol
bis(2,5-	dimethyl-3-furyl) disulfide
2,5-	dimethyl-3-thiofuroyl furan
1,1-	ethane dithiol 1% in ethanol
	ethyl (E,Z)-2,6-nonadienamide
S-	ethyl 2-acetyl aminoethane thioate
	ethyl 3-mercaptopropionate
	ethyl 4-(acetyl thio) butyrate
S-	ethyl thioacetate
(Z+E)-5-	ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-	ethyl-4-methyl-2-(2-methyl propyl) thiazoline
	fish thiol
	furfuryl isopropyl sulfide
4-	furfuryl thio-2-pentanone
	hazelnut pyrazine
N-(	heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
1,6-	hexane dithiol
	hexyl mercaptan
	meaty dithiane
4-	mercapto-2-pentanone 1% in acetoin
2-	mercapto-3-pentanone
2-	mercaptomethyl pyrazine
2-	mercaptopropionic acid
N1-(2-	methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N1-(2-	methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
	methyl 2-methyl-3-furyl disulfide
2-	methyl 3-(methyl thio) furan 10% in triacetin
4-	methyl 4-mercaptopentan-2-one 1% in pg
	methyl dihydrofuran thiol
4-	methyl nonanoic acid
2-	methyl pyrazine
2-	methyl thiazolidine
2-(	methyl thio) ethanol
12-	methyl tridecanal
2-	methyl-1-methyl thio-2-butene
3-	methyl-2-butane thiol
2-	methyl-3-(methyl thio) pyrazine
2-	methyl-3-furyl tetrasulfide
bis(2-	methyl-3-furyl) disulfide
S-(2-	methyl-3-furyl) ethane thioate
3-((2-	methyl-3-furyl)thio)-4-heptanone
4-((2-	methyl-3-furyl)thio)-5-nonanone
2-	naphthyl mercaptan
1,9-	nonane dithiol
	nutty thiazole
2,4-	octadien-1-ol
1,8-	octane dithiol
	peanut dithiazine
1-	phenethyl mercaptan
1,3-	propane dithiol
2-	propionyl-2-thiazoline
	propyl 2-mercaptopropionate
	propyl 2-methyl-3-furyl disulfide
iso	propyl disulfide
iso	propyl mercaptan
	pyrazinyl ethane thiol
2-	pyridinyl methane thiol
	pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
	roasted butanol
	rum ether
	sulfuryl acetate
3-	tetrahydrothiophenone
	thialdine
	thiazole
3-	thienyl mercaptan
1-(2-	thienyl) butanone
ortho-	thiocresol
	thioguaiacol
	tyramine
(odor and/or flavor) used in :
	beef
	caramel
	chicken
	coffee
	onion
	pork
	roasted
	turkey
natural occurrence in :
	beef

information only - not sold by The Good Scents Company.

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