S-sec-butyl thioisovalerate 2432-91-9

S-sec-butyl thioisovalerate

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IUPAC name :

S-butan-2-yl 3-methylbutanethioate

InChI :

InChI=1/C9H18OS/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3

InChIKey :

MQAVHZCNCJTJJP-UHFFFAOYAM

SMILES :

CCC(C)SC(=O)CC(C)C

(EINECS) number :	219-416-0
cas number :	2432-91-9
fl. number :	12.106
molar refractivity :	51.68 ± 0.3 cm3
parachor :	440.7 ± 4.0 cm3
index of refraction :	1.459 ± 0.02
surface tension :	29.6 ± 3.0 dyne/cm
density :	0.922 ± 0.06 g/cm3
polarizability :	20.49 ± 0.5 10-24cm3
xlogp :	3.00
molecular weight :	174.3036200
formula :	C9 H18 O S

export tariff code :

2915.60.0000

fda reg :

unspecified

Suppliers :

Oxford Chemicals Ltd :

SEC-BUTYL THIOISOVALERATE

≥98.00%, Kosher

Treatt :

sec-Butyl thioisovalerate

Treatt USA :

sec-Butyl thioisovalerate

organoleptics :

odor type :

green

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in dipropylene glycol.

spicy galbanum green

properties :

appearence :

colorless clear liquid

assay :

98.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.89800 - 0.90600 @ 20.00 °C.

pounds per gallon - calc. :

7.481 to 7.548

refractive index :

1.45200 - 1.45800 @ 20.00 °C.

boiling point :

180.00 - 182.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

logp :

3.55

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

149.00 °F. TCC ( 65.00 °C. )

recommendation for S-sec-butyl thioisovalerate usage levels up to :

not for fragrance use.

safety links :

(EINECS) number :

chemidplus :

epa-srs :

EPI System :

other :

references :

fl. number :

12.106

pubchem :

680300

NIST Chemistry WebBook :

1922906262

synonyms :
S-sec-	butyl 3-methyl butane thioate
tert-	butyl 3-methyl butane thioate
tert-	butyl isopentane thioate
S-sec-	butyl thioisovalerate
	galbanum valerate
S-1-	methyl propyl 3-methyl butane thioate
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
6-	acetoxydihydrotheaspirane
	agrumen nitrile
	allyl amyl glycolate
alpha-	amyl cinnamyl formate
	basil absolute sweet
	basil oil
	basil oil CO2 sweet
	birch oil sweet america
iso	butyl (E,E)-2,4-decadienamide
iso	butyl angelate
iso	butyl heptanoate
iso	butyl methyl ketone
iso	butyl quinoline
2-sec-	butyl thiazole
4-	butyl thiazole
2-iso	butyl-3-methoxypyrazine
2-sec-	butyl-3-methoxypyrazine
alpha-	campholenic aldehyde
	carrot leaf oil
	carrot seed oil
	carrot seed oil spain
	carrot weed oil
	carvacryl ethyl ether
	chamomile oil
	cinnamaldehyde dimethyl acetal
	cinnamyl alcohol
	cinnamyl formate
	coriander oleoresin
	coriander seed absolute
	coriander seed oil
	cotinus coggygria oil
(-)-	cubenol
	cumin seed absolute
	cuminaldehyde
	cuminyl alcohol
	currant bud absolute black
iso	cyclogeraniol
	dehydroxylinalool oxide
	dihydrojasmone
	dihydrorose oxide
	dill weed oil
	dill weed oil cuba
	dill weed oil reunion
2,4-	dimethyl anisole
	dimethyl benzyl carbinyl butyrate
	dimethyl benzyl carbinyl formate
2,4-	dimethyl-3-cyclohexene-1-methanol
	dipentene terpene hydrocarbon byproducts
	ethyl 4-pentenoate
	fennel seed oil
	galbanum decatriene
	galbanum ketone
	galbanum oxathiane
	galbanum oxyacetate
	geranium oil
	geranium oil africa
	geranium oil egypt
	ginger oleoresin
	green pea pyrazine
	guaiyl acetate
	heptanal
	heptanol
2-	heptanone
2-	heptyl cyclopentanone
	herbal cyclohexane
	herbal dioxane
	herbal heptane
(E,E)-2,4-	hexadien-1-al
(E,E)-2,4-	hexadien-1-ol
(E)-4-	hexen-1-ol
(Z)-4-	hexen-1-ol
3-	hexen-1-yl 2-methyl butyrate
	hexyl 3-mercaptobutanoate
	hexyl hexanoate
	hop absolute
	hop oil
	leafy oxime
	linalyl formate
	linalyl octanoate
	lychee mercaptan acetate
	marjoram oil sweet egypt
	marjoram oil sweet morocco
para-	menth-1-en-9-al
2-	methoxy-3-propyl pyrazine
bis(	methyl thio) methane
(E)-6-	methyl-3-hepten-2-one
	neryl formate
3-	nonanol
	nonisyl formate
	ocimene quintoxide
2-	octanol
(E)-2-	octen-1-al
3-	octen-1-yl acetate
3-	octen-2-one
	origanum oil
	origanum oil turkey
	parsley seed oil
2-	pentyl cyclopentanone
	perillaldehyde
	perillyl acetate
2-	phenyl propyl alcohol
	phenyl propyl phenyl acetate
iso	phytol
	pineapple heptadienone 10%
iso	propyl 3-methyl thiocrotonate
2-	propyl thiazole
iso	propyl thioisovalerate
iso	pulegol
	reseda absolute
	rhubarb undecane
	rose absolute
	rose pyran
	seaweed absolute
	sorbyl isobutyrate
	tagete flower oil rwanda
	tagete oil
	tagete oil CO2 extract
	theaspirane
alpha-	thujene
	timber dioxolane
	tropical indene
	tropical oxathiane
	violet dienyne
	viridiflorol
(odor and/or flavor) used in :
	galbanum
	green
	herbal
	spice
natural occurrence in :
	galbanum

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