menthone-8-thioacetate
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IUPAC name :O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate
InChI :InChI=1/C12H20O2S/c1-8-5-6-10(11(13)7-8)12(3,4)14-9(2)15/h8,10H,5-7H2,1-4H3/t8u,10-/m1/s1
InChIKey :ICHFAYSVCHABJK-LHIURRSHBL
SMILES :CC1CC[C@H](C(=O)C1)C(C)(C)OC(=S)C
cas number :94293-57-9
(EINECS) number :304-949-4
fema number :3809
jecfa number :506
fl. number :12.201
molar refractivity :64.37 ± 0.3 cm3
parachor :545.4 ± 6.0 cm3
index of refraction :1.504 ± 0.02
surface tension :39.8 ± 3.0 dyne/cm
density :1.052 ± 0.06 g/cm3
polarizability :25.51 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 228.3510000 (IUPAC)
formula :C12 H20 O2 S
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Frutarom :8-(ACETYLTHIO)MENTHONE
≥85.00%, NI, Kosher
Odor:  Blackcurrant, Catty, Fruity, Herbaceous
Suggested Uses: Blackcurrant, Hard Fruits, Soft Fruits, Tropical Fruits
Frutarom :SULFOX ACETATE
NI, Kosher
Odor:  Blackcurrant, Catty, Fruity, Herbaceous
Suggested Uses: Blackcurrant, Hard Fruits, Soft Fruits, Tropical Fruits
Penta :p-menthone-8-thioacetate
Treatt :para-Mentha-8-thioacetate-3-one
organoleptics :
odor type :herbal
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		blackcurrant catty fruity herbal
properties :
appearence :colorless to pale yellow clear liquid
assay : 85.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04300 to 1.05300 @ 20.00 °C.
pounds per gallon - calc. : 8.689 to 8.772
refractive index :1.49700 to 1.50600 @ 20.00 °C.
boiling point : 305.00 to 306.00 °C. @ 760.00 mm Hg
flash point : 281.00  °F.  TCC  ( 138.33 °C. )
logP (o/w) : 2.49
safety :
most important hazard(s) :Xi - Irritant
  R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
recommendation for menthone-8-thioacetate fragrance usage levels up to :
 not for fragrance use.
safety references :
EPI System :view
 
WGK Germany :3
 
 
 
 
O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate
(EINECS) number :304-949-4
chemidplus :094293579
EPA Substance Registry Services :94293-57-9
references :
 
O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate
fl. number :12.201
jecfa number :506
pubchem :752808
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-(1-acetyl thio-1-methyl ethyl)-5-methyl cyclohexanone
8-acetyl thio-para-menthan-3-one
 ethanethioic acid S-(1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ester
3-oxo-para-menthane-8-thiyl acetate
(1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ethane thioate
O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate
 sulfox acetate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
alpha-amyl cinnamaldehydeFL/FR
 amyl furoateFL/FR
isoamyl heptanoateFL/FR
para-anisyl propionateFL/FR
 benzyl acetoneFL/FR
 benzyl methyl tiglateFL
 butyl heptanoateFL/FR
isobutyl heptanoateFL/FR
 butyl levulinateFL/FR
isobutyl methyl ketoneFL/FR
 butyl tiglateFL/FR
 cassis buteneoneFL/FR
 cassis methanolFR
 chamomile propionateFR
 citronellyl isovalerateFL/FR
 cuminyl acetateFL/FR
(Z)-beta-damasconeFL/FR
delta-damasconeFL/FR
 davana oilFL/FR
 diethyl malateFL
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl salicylateFL/FR
 diosphenolFL/FR
 ethyl 4-pentenoateFL/FR
 geranyl tiglateFL/FR
(E)-2-hexenoic acidFL
 hexyl tiglateFL/FR
 jasmin absoluteFL/FR
 juniper carboxaldehydeFR
 linalyl octanoateFL/FR
para-menth-1-ene-9-olFL/FR
 menthadienyl formateFR
1-para-menthen-9-yl acetateFL/FR
4-methoxy-2-methyl butane thiolFL
4-methyl 4-mercaptopentan-2-one 1% in pgFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
2-methyl butyl isovalerateFL/FR
 methyl hexyl etherFL/FR
 myrtenyl acetateFL/FR
 nonan-3-yl acetateFL/FR
3-nonanoneFL/FR
3-octanon-1-olFL/FR
 orris capronateFL/FR
 passiflora acetateFL/FR
beta-sesquiphellandrene 
 rose undeceneFR
 rue flower oil colombia 
 rue oilFL/FR
 rue oil cubaFL/FR
 spathulenol 
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 thiogeraniolFL/FR
 tricyclodecenyl propionateFR
 viridiflorolFL/FR
potential uses :
 currant black currant
 fruit
 fruit tropical fruit
natural occurrence in :    note
 buchu leaf oil S

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