sec-butyl-3-methyl but-2-ene thioate 34322-09-3

sec-butyl-3-methyl but-2-ene thioate

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IUPAC name :

S-butan-2-yl 3-methylbut-2-enethioate

InChI :

InChI=1/C9H16OS/c1-5-8(4)11-9(10)6-7(2)3/h6,8H,5H2,1-4H3

InChIKey :

GGGWOXLORXHXFZ-UHFFFAOYAB

SMILES :

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

(EINECS) number :	251-938-4
cas number :	34322-09-3
fl. number :	12.105
molar refractivity :	51.63 ± 0.3 cm3
parachor :	426.7 ± 4.0 cm3
index of refraction :	1.479 ± 0.02
surface tension :	30.2 ± 3.0 dyne/cm
density :	0.946 ± 0.06 g/cm3
polarizability :	20.46 ± 0.5 10-24cm3
xlogp :	2.60
molecular weight :	172.2877400
formula :	C9 H16 O S

fda reg :

unspecified

h. number :

unspecified

organoleptics :

odor type :

green

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in dipropylene glycol.

green grassy herbal spicy

properties :

appearence :

colorless clear liquid

assay :

95.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.94600 - 0.95200 @ 20.00 °C.

pounds per gallon - calc. :

7.881 to 7.931

refractive index :

1.50100 - 1.50700 @ 20.00 °C.

boiling point :

185.00 - 187.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

logp :

3.57

safety :

most important hazard(s) :

Xn - Harmful.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

141.00 °F. TCC ( 60.56 °C. )

recommendation for sec-butyl-3-methyl but-2-ene thioate usage levels up to :

1.0000 % in the fragrance concentrate.

safety links :

(EINECS) number :

251-938-4

chemidplus :

034322093

epa-srs :

34322-09-3

other :

references :

fl. number :

12.105

pubchem :

694860

synonyms :
S-sec-	butyl 3-methyl-2-butene thioate
sec-	butyl 3-methyl-2-butene thioate
tert-	butyl 3-methyl-2-butene thioate
S-sec-	butyl 3-methyl-2-butenethioate
sec-	butyl 3-methyl-2-butenethioate
tert-	butyl isopent-2-ne thioate
tert-	butyl isopent-2-nethioate
sec-	butyl S-senecthioate
sec-	butyl-3-methyl but-2-ene thioate
sec-	butyl-3-methyl but-2-enethioate
	galbanum thioate
3-	methyl thiocrotonic acid S-sec-butyl ester
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
6-	acetoxydihydrotheaspirane
2-	acetyl-2-thiazoline
	agrumen nitrile
alpha-	amyl cinnamyl formate
iso	amyl heptanoate
	bark carbaldehyde
	basil absolute sweet
	basil oil
	basil oil CO2 sweet
	birch oil sweet america
iso	butyl (E,E)-2,4-decadienamide
iso	butyl angelate
	butyl heptanoate
iso	butyl heptanoate
iso	butyl methyl ketone
iso	butyl quinoline
2-sec-	butyl thiazole
4-	butyl thiazole
	cajuput oil vietnam
	calamenene
alpha-	campholenic aldehyde
	carrot leaf oil
	carrot seed oil
	carrot weed oil
	carvacryl ethyl ether
	carvacryl methyl ether
	chamomile oil
	cinnamaldehyde dimethyl acetal
	cinnamyl formate
	coriander seed absolute
	coriander seed oil
(-)-	cubenol
	cumin seed absolute
	cuminaldehyde
	cuminyl alcohol
	currant bud absolute black
iso	cyclogeraniol
	dehydroxylinalool oxide
	dibutyl sulfide
	dihydrojasmone
	dihydrorose oxide
	dill weed oil
2,4-	dimethyl anisole
	dimethyl benzyl carbinyl butyrate
	dimethyl benzyl carbinyl formate
2,4-	dimethyl-3-cyclohexene-1-methanol
3,7-	dimethyl-6-octenoic acid
	dipentene terpene hydrocarbon byproducts
	ethyl 4-pentenoate
2-	ethyl pyridine
	fennel seed oil
3-(2-	furyl) acrolein
	geranium oil
	geranium oil africa
	geranium oil egypt
	ginger oleoresin
	heptanal
	heptanol
2-	heptanone
(Z)-3-	hepten-1-ol
3-	hepten-2-one
2-	heptenoic acid
	heptyl heptanoate
	herbal acetal
	herbal cyclohexane
	herbal dioxane
	herbal heptane
(E,E)-2,4-	hexadien-1-al
(E,E)-2,4-	hexadien-1-ol
	hexanal dihexyl acetal
(Z)-3-	hexen-1-al
(E)-4-	hexen-1-ol
(Z)-4-	hexen-1-ol
3-	hexen-1-yl 2-methyl butyrate
(Z)-3-	hexenoic acid
	hexyl 3-mercaptobutanoate
	hexyl hexanoate
	hop absolute
	hop oil
	ivy leaf absolute
	lilac acetaldehyde
	linalyl formate
	linalyl octanoate
	litsea cubeba oil
	lychee mercaptan acetate
	marjoram oil sweet egypt
	marjoram oil sweet morocco
para-	menth-1-en-9-al
1-para-	menthen-9-yl acetate
3-(	methyl thio) hexanal
bis(	methyl thio) methane
2-	methyl-2-penten-1-al
(E)-6-	methyl-3-hepten-2-one
	mimosa absolute
T-	muurolol
	neryl formate
3-	nonanol
	nonisyl formate
	ocimene quintoxide
(E,E)-3,5-	octadien-2-one
3-	octanon-1-ol
(E)-2-	octen-1-al
3-	octen-1-yl acetate
3-	octen-2-one
	parsley seed oil
	patchouli absolute
2-	pentyl cyclopentanone
	perillaldehyde
	perillyl acetate
2-	phenyl propyl alcohol
	phenyl propyl phenyl acetate
iso	phytol
	prenyl ethyl ether
	privet dioxane
2-	propyl thiazole
	propylene acetal
iso	pulegol
	reseda absolute
	rose pyran
	saffron indenone
	safranal
	seaweed absolute
	tagete oil
	terpinyl isobutyrate
	theaspirane
alpha-	thujene
	thymyl methyl ether
	timber dioxolane
	tricyclodecyl acetate
3,5,5-	trimethyl hexanol
	tropical indene
	viridiflorol
(odor and/or flavor) used in :
	balsam
	capsicum
	galbanum
	grass
	green
	herbal
	outdoors fresh outdoors
	spice
natural occurrence in :
	galbanum

information only - not sold by The Good Scents Company.

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