2-(2-butyl)-4,5-dimethyl-3-thiazoline 65894-82-8

2-(2-butyl)-4,5-dimethyl-3-thiazoline

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IUPAC name :

2-butan-2-yl-4,5-dimethyl-2,5-dihydro-1,3-thiazole

InChI :

InChI=1/C9H17NS/c1-5-6(2)9-10-7(3)8(4)11-9/h6,8-9H,5H2,1-4H3

InChIKey :

FLBOQJFNAYJWIA-UHFFFAOYAO

SMILES :

CCC(C)C1N=C(C(S1)C)C

cas number :	65894-82-8
(EINECS) number :	265-968-0
fema number :	3619
jecfa number :	1059
fl. number :	15.029
molar refractivity :	51.59 ± 0.5 cm3
parachor :	386.2 ± 8.0 cm3
index of refraction :	1.539 ± 0.05
surface tension :	30.3 ± 7.0 dyne/cm
density :	1.04 ± 0.1 g/cm3
polarizability :	20.45 ± 0.5 10-24cm3
XlogP :	2.30
molecular weight :	171.3029800
formula :	C9 H17 N S
NMR Predictor :	Predict

export tariff code :

2934.10.0000

fda reg :

unspecified

Suppliers :

Endeavour :

2-(2-Butyl)-4,5-dimethyl-3-thiazoline
98%

Penta :

2-(2-butyl)-4,5-dimethyl-3-thiazoline

Treatt :

2-(sec-Butyl)-4,5-dimethyl-3-thiazoline

organoleptics :

odor type :

meaty

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in dipropylene glycol.

meaty spicy vegetable

properties :

appearence :

pale yellow clear liquid

assay :

98.00 to 100.00 % sum of isomers

Food Chemicals Codex Listed :

specific gravity :

0.95000 to 0.95500 @ 25.00 °C.

pounds per gallon - calc. :

7.905 to 7.947

refractive index :

1.48300 to 1.48800 @ 20.00 °C.

boiling point :

71.00 °C. @ 4.00 mm Hg

boiling point :

228.00 to 230.00 °C. @ 760.00 mm Hg

vapor pressure :

0.08600 mm/Hg @ 25.00 °C.

flash point :

202.00 °F. TCC ( 94.44 °C. )

logP (o/w) :

3.95

safety :

Oral Toxicity(LD50) :

Gavage-Mouse [sex: M,F] 2827.00 mg/kg
(Moran et al., 1980)

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

ND (μg/capita/day)

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

5.00 (μg/capita/day)

recommendation for 2-(2-butyl)-4,5-dimethyl-3-thiazoline usage levels up to :

not for fragrance use.

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

Canada Domestic Sub. List :

Yes

2-butan-2-yl-4,5-dimethyl-2,5-dihydro-1,3-thiazole

(EINECS) number :

265-968-0

chemidplus :

065894828

EPA Substance Registry Services :

65894-82-8

references :

2-butan-2-yl-4,5-dimethyl-2,5-dihydro-1,3-thiazole

fl. number :

15.029

jecfa number :

1059

pubchem :

198978

other :

synonyms :
2-	butan-2-yl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
2-sec-	butyl-4,5-dimethyl-2,5-dihydrothiazole
2-(sec-	butyl)-4,5-dimethyl-3-thiazoline
2,5-	dihydro-4,5-dimethyl-2-(1-methyl propyl) thiazole
2,5-	dihydro-4,5-dimethyl-2-1-methyl propyl thiazole
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
4-	acetyl-2-methyl pyrimidine
2-	acetyl-3-methyl pyrazine
4-	allyl-2,6-dimethoxyphenol
4-	aminobutyric acid
	amyl mercaptan
	asafetida oil
	bacon dithiazine
	benzothiazole
1,3-	butane dithiol
2,3-	butane dithiol
iso	butyl mercaptan
	butyraldehyde
	coffee difuran
	cortex pyridine
	cyclopentyl mercaptan
	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
	dihydroxyacetophenone
	diisopropyl sulfide
N-(2,4-	dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N-(2-(3,4-	dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
	dimethyl disulfide
2,5-	dimethyl furan
	dimethyl sulfide
	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
2,5-	dimethyl-3-thiofuroyl furan
1,1-	ethane dithiol 1% in ethanol
2-	ethoxythiazole
	ethyl (E,Z)-2,6-nonadienamide
	ethyl (E)-2-hexenoate
S-	ethyl 2-acetyl aminoethane thioate
	ethyl 3-(furfuryl thio) propionate
	ethyl 3-mercaptopropionate
	ethyl 4-(acetyl thio) butyrate
	ethyl pyruvate
S-	ethyl thioacetate
(Z+E)-5-	ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-	ethyl-4-methyl-2-(2-methyl propyl) thiazoline
2-	ethyl-4,5-dimethyl oxazole
	fish thiol
	furfuryl isopropyl sulfide
	furfuryl methyl sulfide
1-	furfuryl pyrrole
4-	furfuryl thio-2-pentanone
	geranium thiazole
	grapefruit menthane
	hazelnut pyrazine
(E,E)-2,4-	heptadien-1-al
N-(	heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
(E)-2-	hepten-1-al
(Z)-4-	hepten-1-al
	hexanal propylene glycol acetal
1,6-	hexane dithiol
(E)-4-	hexen-1-al
2-	hexen-1-al
4-	hexen-1-ol
(Z)-3-	hexen-1-yl (E)-crotonate
(Z)-3-	hexen-1-yl formate
(Z)-3-	hexen-1-yl lactate
(Z)-3-	hexen-1-yl phenyl acetate
(Z)-3-	hexen-1-yl pyruvate
(Z)-3-	hexen-1-yl tiglate
	hexyl hexanoate
	hexyl mercaptan
	jalapeno oleoresin
	lychee mercaptan acetate
	meaty dithiane
	melon nonenoate
4-	mercapto-2-pentanone 1% in acetoin
3-	mercapto-3-methyl butanol
2-	mercapto-3-pentanone
3-	mercaptohexyl butyrate
2-	mercaptomethyl pyrazine
2-	mercaptopropionic acid
	mesityl oxide
	methional
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
	methyl 3-(methyl thio) propionate
4-	methyl 4-mercaptopentan-2-one 1% in pg
	methyl benzyl disulfide
	methyl dihydrofuran thiol
	methyl furfuryl disulfide
4-	methyl nonanoic acid
	methyl octanoate
2-	methyl pyrazine
2-	methyl thiazole
2-	methyl thiazolidine
2-	methyl thio-3,5 or 6-methyl pyrazine
2-(	methyl thio) acetaldehyde
4-(	methyl thio) butanol
2-(	methyl thio) ethanol
3-(	methyl thio) hexanol
	methyl thiomethyl butyrate
12-	methyl tridecanal
2-	methyl-1-methyl thio-2-butene
2-	methyl-1,3-dithiolane
3-	methyl-2-butane thiol
3-(5-	methyl-2-furyl) butanal
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
5-	methyl-5-hexen-2-one
2-	methyl-5-methoxythiazole
2-	naphthyl mercaptan
2,6-	nonadien-1-ol
1,9-	nonane dithiol
(Z)-6-	nonen-1-ol
	nutty thiazole
2,4-	octadien-1-al
1,8-	octane dithiol
2-	octen-1-ol
1-	octen-3-ol
(E)-2-	octenoic acid
	peanut dithiazine
4-	penten-1-yl acetate
1-	penten-3-ol
2-	pentyl furan
1-	phenethyl mercaptan
	potato butanone
1,3-	propane dithiol
2-	propionyl-2-thiazoline
	propyl 2-mercaptopropionate
	propyl 2-methyl-3-furyl disulfide
iso	propyl disulfide
iso	propyl mercaptan
2-	propyl pyrazine
	propyl thioacetate
iso	propyl tiglate
2-iso	propyl-3-(methyl thio) pyrazine
	propylene glycol acetone ketal
	pyrazinyl ethane thiol
2-	pyridinyl methane thiol
	pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
	radish isothiocyanate
	roasted butanol
	rum ether
	sulfuryl acetate
	tetrahydrofurfuryl alcohol
3-	tetrahydrothiophenone
	thialdine
3-	thienyl mercaptan
1-(2-	thienyl) butanone
ortho-	thiocresol
	thioguaiacol
2,4,5-	trimethyl thiazole
	tropical thiazole
	tyramine
	vinyl sulfurol
	yeast thiazoline
(odor and/or flavor) used in :
	meat
	spice
	vegetable
natural occurrence in :
	not found in nature

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