EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isopropyl thioisovalerate
butanethioic acid, 3-methyl-, S-(1-methylethyl) ester

Supplier Sponsors

Name:S-propan-2-yl 3-methylbutanethioate
CAS Number: 34322-06-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:251-936-3
Nikkaji Web:J287.899B
XlogP3-AA:2.70 (est)
Molecular Weight:160.27972000
Formula:C8 H16 O S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.89000 to 0.91000 @ 20.00 °C.
Pounds per Gallon - (est).: 7.414 to 7.581
Refractive Index:1.45000 to 1.45800 @ 20.00 °C.
Boiling Point: 193.00 to 195.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.398000 mm/Hg @ 25.00 °C. (est)
Flash Point: 145.00 °F. TCC ( 62.78 °C. )
logP (o/w): 3.095 (est)
Soluble in:
 alcohol
 water, 469.5 mg/L @ 25 °C (est)
Insoluble in:
 water
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allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
 
Organoleptic Properties:
Odor Type: green
Odor Strength:high ,
recommend smelling in a 0.01 % solution or less
green galbanum sulfurous
Odor Description:at 0.01 % in dipropylene glycol. green galbanum sulfurous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
isoPropyl Thioisovalerate
Taytonn
isoPropyl Thioisovalerate
Odor: Green, Galbanum, Sulphurous
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and 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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isopropyl thioisovalerate usage levels up to:
  0.0300 % in the fragrance concentrate.
 
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):34322-06-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :118641
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
S-propan-2-yl 3-methylbutanethioate
Chemidplus:0034322060
 
References:
 S-propan-2-yl 3-methylbutanethioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:34322-06-0
Pubchem (cid):118641
Pubchem (sid):135074573
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
cotinus coggygria branch/leaf oil
FL/FR
propyl cinnamate
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
floral
anisyl propanal / methyl anthranilate schiff's base
FR
dimethyl benzyl carbinol
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
ocean propanal / methyl anthranilate schiff's base
FR
bitter
orangeflower absolute morocco
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
iso
propyl phenyl acetate
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
laevo-
rose oxide
FL/FR
fruity
allyl amyl glycolate
FR
fleuramone (IFF)
FR
rhubarb undecane
FR
green
2-iso
butyl thiazole
FL/FR
S-sec-
butyl thioisovalerate
FL/FR
2-iso
butyl-3-methoxypyrazine
FL/FR
2-sec-
butyl-3-methoxypyrazine
FL/FR
cumin acetaldehyde
FL/FR
galbanum decatriene
FL/FR
galbanum oxyacetate
FR
galbascone (IFF)
FR
3-
hexenal
FL/FR
3,5-
ivy carbaldehyde
FL/FR
2,4-
ivy carbaldehyde
FL/FR
ivy carbaldehyde
FL/FR
3,6-
ivy carbaldehyde
FL/FR
2,4-
ivy carbaldehyde / methyl anthranilate schiff's base
FR
ivy dioxolane
FR
leafy oxime
FR
narcissus flower absolute
FR
phenethyl acetal
FR
phenoxyacetaldehyde 50% in benzyl alcohol
FR
3-
phenyl propionaldehyde
FL/FR
pineapple heptadienone 10%
FR
iso
propyl 3-methyl thiocrotonate
FL/FR
iso
propyl quinoline
FR
sorbyl isobutyrate
FL/FR
spirogalbanone (Givaudan)
FR
violet dienyne
FR
sulfurous
cassis pentanone
FL/FR
lychee mercaptan acetate
FL/FR
mango thiol
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
2-
tropical oxathiane
FL/FR
waxy
allyl nonanoate
FL/FR
For Flavor
No flavor group found for these
butyl isothiocyanate
FL
S-sec-
butyl thioisovalerate
FL/FR
cotinus coggygria branch/leaf oil
FL/FR
green pea pyrazine
FL
ivy carbaldehyde
FL/FR
3,5-
ivy carbaldehyde
FL/FR
2-
methoxy-3-propyl pyrazine
FL
iso
propyl 3-methyl thiocrotonate
FL/FR
2-iso
propyl pyridine
FL
rose absolute (rosa damascena) bulgaria
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
2-
tropical oxathiane
FL/FR
sorbyl isobutyrate
FL/FR
alliaceous
alliaceous
dipropyl trisulfide
FL
truffle sulfide
FL
floral
bitter
orangeflower absolute morocco
FL/FR
laevo-
rose oxide
FL/FR
fruity
propyl cinnamate
FL/FR
green
2-iso
butyl thiazole
FL/FR
2-iso
butyl-3-methoxypyrazine
FL/FR
cassis pentanone
FL/FR
cumin acetaldehyde
FL/FR
galbanum decatriene
FL/FR
cis-
galbanum oxathiane
FL/FR
3-
hexenal
FL/FR
3,6-
ivy carbaldehyde
FL/FR
2,4-
ivy carbaldehyde
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
honey
iso
propyl phenyl acetate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
onion
propyl thioacetate
FL
sulfurous
mango thiol
FL/FR
vegetable
2-sec-
butyl-3-methoxypyrazine
FL/FR
waxy
allyl nonanoate
FL/FR
 
Potential Uses:
FRgalbanum
FLgreen
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 butanethioic acid, 3-methyl-, S-(1-methylethyl) ester
S-1-methyl ethyl 3-methyl butane thioate
S-1-methyl ethyl 3-methyl butanethioate
S-1-methylethyl 3-methylbutanethioate
S-propan-2-yl 3-methylbutanethioate
S-isopropyl 3-methyl butane thioate
S-isopropyl 3-methyl butanethioate
isopropyl 3-methyl thiobutyrate
S-isopropyl 3-methyl thiobutyrate
S-isopropyl thioisopentanoate
isopropyl thioisovalerate
S-isopropyl-3-methyl butane thioate
S-isopropyl-3-methyl butanethioate
 

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