4-furfuryl thio-2-pentanone 180031-78-1

4-furfuryl thio-2-pentanone

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IUPAC name :

4-(furan-2-ylmethylsulfanyl)pentan-2-one

InChI :

InChI=1/C10H14O2S/c1-8(11)6-9(2)13-7-10-4-3-5-12-10/h3-5,9H,6-7H2,1-2H3

InChIKey :

IUNKNKANRUMCNL-UHFFFAOYAN

SMILES :

CC(CC(=O)C)SCC1=CC=CO1

cas number :	180031-78-1
fema number :	3840
jecfa number :	1084
fl. number :	13.196
molar refractivity :	54.61 ± 0.3 cm3
parachor :	450.0 ± 4.0 cm3
index of refraction :	1.510 ± 0.02
surface tension :	36.9 ± 3.0 dyne/cm
density :	1.086 ± 0.06 g/cm3
polarizability :	21.65 ± 0.5 10-24cm3
xlogp :	1.50
molecular weight :	198.2819600
formula :	C10 H14 O2 S

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor type :

meaty

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

meaty

properties :

appearence :

yellow clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.08800 to 1.09600 @ 25.00 °C.

pounds per gallon - calc. :

9.053 to 9.120

refractive index :

1.51300 to 1.51800 @ 20.00 °C.

boiling point :

288.00 to 289.00 °C. @ 760.00 mm Hg

logp :

1.99

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

263.00 °F. TCC ( 128.33 °C. )

recommendation for 4-furfuryl thio-2-pentanone usage levels up to :

not for fragrance use.

safety links :

chemidplus :

180031781

EPA Substance Registry Services :

180031-78-1

NLM Chemical Carcinogenesis Research Information System :

180031-78-1

NLM Developmental and Reproductive Toxicity :

180031-78-1

NLM Env. Mutagen Info. Center :

180031-78-1

NLM GENetic TOXicology :

180031-78-1

EPI System :

view

other :

references :

jecfa number :

1084

fl. number :

13.196

pubchem :

3819125

synonyms :
	furan methyl thiopentanone
4-((2-	furan methyl) thio)-2-pentanone
4-(	furan-2-yl methyl sulfanyl) pentane-2-one
4-	furfuryl thio-2-pentanone
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
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
2,6-	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
	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
	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-	methyl-3-tetrahydrofuran thiol
2-	naphthyl mercaptan
1,9-	nonane dithiol
	nutty thiazole
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 :
	meat
natural occurrence in :
	not found in nature

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