isopropyl thioisovalerate
butanethioic acid, 3-methyl-, S-(1-methylethyl) ester
 
Notes:
None found
  • Taytonn
    • TAYTONN PTE LTD
      Supplying Asia Pacific
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      Product(s):
      isoPropyl Thioisovalerate
       
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S-propan-2-yl 3-methylbutanethioate (Click)
CAS Number: 34322-06-0Picture of molecule
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
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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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decyl valerate
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furfuryl isovalerate
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(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
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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
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
isoPropyl Thioisovalerate
Taytonn
isoPropyl Thioisovalerate
Odor: Green, Galbanum, Sulphurous
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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
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isopropyl thioisovalerate usage levels up to:
  0.0300 % in the fragrance concentrate.
 
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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
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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
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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
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Potential Blenders and core components note
 
For Odor
balsamic
 propyl cinnamateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
floral
 anisyl propanal / methyl anthranilate schiff's baseFR
 dimethyl benzyl carbinolFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 ocean propanal / methyl anthranilate schiff's baseFR
bitter orangeflower absolute moroccoFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
isopropyl phenyl acetateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
laevo-rose oxideFL/FR
fresh
 sorbyl isobutyrateFL/FR
fruity
 allyl amyl glycolateFR
 fleuramone (IFF)FR
 rhubarb undecaneFR
green
2-isobutyl thiazoleFL/FR
S-sec-butyl thioisovalerateFL/FR
2-isobutyl-3-methoxypyrazineFL/FR
2-sec-butyl-3-methoxypyrazineFL/FR
 cumin acetaldehydeFL/FR
 galbanum decatrieneFL/FR
 galbanum oxyacetateFR
 galbascone (IFF)FR
3-hexenalFL/FR
3,5-ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
 ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
2,4-ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 leafy oximeFR
 narcissus flower absoluteFR
 phenethyl acetalFR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
3-phenyl propionaldehydeFL/FR
 pineapple heptadienone 10%FR
isopropyl 3-methyl thiocrotonateFL/FR
isopropyl quinolineFR
 violet dienyneFR
malty
S-methyl methioninium chloride 
 cassis pentanoneFL/FR
 lychee mercaptan acetateFL/FR
 mango thiolFL/FR
tropical
cis-galbanum oxathianeFL/FR
2-tropical oxathianeFL/FR
waxy
 allyl nonanoateFL/FR
 
For Flavor
 
No flavor group found for these
 butyl isothiocyanateFL
S-sec-butyl thioisovalerateFL/FR
2-sec-butyl-3-methoxypyrazineFL/FR
 cumin acetaldehydeFL/FR
 dimethyl benzyl carbinolFL/FR
 green pea pyrazineFL
2,4-ivy carbaldehydeFL/FR
 ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
2-methoxy-3-propyl pyrazineFL
isopropyl 3-methyl thiocrotonateFL/FR
2-isopropyl pyridineFL
 rose absolute (rosa damascena) bulgariaFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
2-tropical oxathianeFL/FR
alliaceous
 dipropyl trisulfideFL
 truffle sulfideFL
cinnamon
 sorbyl isobutyrateFL/FR
floral
bitter orangeflower absolute moroccoFL/FR
laevo-rose oxideFL/FR
fruity
 propyl cinnamateFL/FR
green
2-isobutyl thiazoleFL/FR
2-isobutyl-3-methoxypyrazineFL/FR
 cassis pentanoneFL/FR
 galbanum decatrieneFL/FR
cis-galbanum oxathianeFL/FR
3-hexenalFL/FR
3-phenyl propionaldehydeFL/FR
honey
 phenyl acetaldehyde diisobutyl acetalFL/FR
isopropyl phenyl acetateFL/FR
juicy
 lychee mercaptan acetateFL/FR
onion
 propyl thioacetateFL
sulfurous
 mango thiolFL/FR
S-methyl methioninium chloride 
waxy
 allyl nonanoateFL/FR
 
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Potential Uses:
 galbanumFL/FR
 greenFL
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Occurrence (nature, food, other): note
 found in nature
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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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Articles:
 None found yet.
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