methyl dihydrofuran thiol 26486-13-5

methyl dihydrofuran thiol

organoleptics properties safety references FEMA Index Home Page

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

IUPAC name :

2-methyl-2,3-dihydrofuran-4-thiol

InChI :

InChI=1/C5H8OS/c1-4-5(7)2-3-6-4/h7H,2-3H2,1H3

InChIKey :

IHRSRTFITLMUQC-UHFFFAOYAI

SMILES :

CC1=C(CCO1)S

cas number :	26486-13-5
fema number :	4683
fl. number :	13.108
molar refractivity :	32.19 ± 0.4 cm3
parachor :	254.0 ± 6.0 cm3
index of refraction :	1.519 ± 0.03
surface tension :	32.9 ± 5.0 dyne/cm
density :	1.01 ± 0.1 g/cm3
polarizability :	12.76 ± 0.5 10-24cm3
XlogP :	1.00
XlogP3-AA :	1.00
molecular weight :	116.1814200 (IUPAC)
formula :	C5 H8 O S
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor strength :

high ,
recommend smelling in a 0.01 % solution or less

odor description :
at 0.01 % in propylene glycol.

roasted meaty

properties :

appearence :

pale yellow clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.04700 to 1.05300 @ 25.00 °C.

pounds per gallon - calc. :

8.712 to 8.762

refractive index :

1.49700 to 1.50300 @ 20.00 °C.

boiling point :

158.00 to 160.00 °C. @ 760.00 mm Hg

flash point :

123.00 °F. TCC ( 50.56 °C. )

logP (o/w) :

1.96

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

37.00 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

150 (μg/person/day)

Threshold of concern :

90 (μg/person/day)

recommendation for methyl dihydrofuran thiol usage levels up to :

not for fragrance use.

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).

Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.

average usage mg/kg

maximum usage mg/kg

Dairy products, excluding products of category 02.0 (01.0) :

0.40000

2.00000

Fats and oils, and fat emulsions (type water-in-oil) (02.0) :

0.20000

1.00000

Edible ices, including sherbet and sorbet (03.0) :

0.40000

2.00000

Processed fruit (04.1) :

0.30000

1.50000

Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) :

Confectionery (05.0) :

0.40000

2.00000

Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) :

0.20000

1.00000

Bakery wares (07.0) :

0.40000

2.00000

Meat and meat products, including poultry and game (08.0) :

0.10000

0.40000

Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) :

0.10000

0.40000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

Salts, spices, soups, sauces, salads, protein products, etc. (12.0) :

0.20000

1.00000

Foodstuffs intended for particular nutritional uses (13.0) :

0.40000

2.00000

Non-alcoholic ("soft") beverages, excl. dairy products (14.1) :

0.20000

1.00000

Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) :

Ready-to-eat savouries (15.0) :

1.00000

5.00000

Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) :

0.20000

1.00000

safety references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

EPI System :

view

2-methyl-2,3-dihydrofuran-4-thiol

chemidplus :

26486-13-5

EPA Substance Registry Services :

26486-13-5

references :

2-methyl-2,3-dihydrofuran-4-thiol

fl. number :

13.108

NIST Chemistry WebBook :

3645974305

pubchem :

10542567

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
4,5-	dihydro-2-methyl-3-mercaptofuran
4,5-	dihydro-3-mercapto-2-methyl furan
3-	mercapto-2-methyl-4,5-dihydrofuran
5-	methyl-2,3-dihydrofuran-4-thiol
2-	methyl-4,5-dihydro-3-furan thiol
2-	methyl-4,5-dihydrofuran-3-thiol
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
4-	acetyl-2-methyl pyrimidine
4-	allyl-2,6-dimethoxyphenol
4-	aminobutyric acid
	amyl mercaptan
	bacon dithiazine
	benzothiazole
1,2-	butane dithiol
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
(E,E)-2,4-	decadien-1-al
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
2,6-	dimethyl thiophenol
	dimethyl trisulfide
4,5-	dimethyl-2-ethyl-3-thiazoline
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
(Z+E)-2,5-	dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-	dimethyl-3-thioacetoxytetrahydrofuran
2,5-	dimethyl-3-thiofuroyl furan
1,1-	ethane dithiol 1% in ethanol
2-	ethoxythiazole
	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
	massoia bark oil
	meaty dithiane
4-	mercapto-2-pentanone 1% in acetoin
(R,S)-2-	mercapto-3-butanol
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 benzoxole
4-	methyl nonanoic acid
2-	methyl pyrazine
2-	methyl thiazolidine
2-(	methyl thio) ethanol
3-(	methyl thio) propanol
12-	methyl tridecanal
2-	methyl-1-methyl thio-2-butene
3-	methyl-2-butane thiol
2-	methyl-3-,5 or 6-(furfuryl thio) pyrazine
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-	methyl-3-tetrahydrofuran thiol
2-	naphthyl mercaptan
1,9-	nonane dithiol
	nutty thiazole
1,8-	octane dithiol
	peanut dithiazine
4-	penten-1-yl acetate
2-	pentyl thiophene
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
2,4,6-	trithiaheptane 10% in triacetin
	tyramine
(odor and/or flavor) used in :
	meat
natural occurrence in :
	found in nature

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home