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

isopropyl 3-methyl thiocrotonate
S-isopropyl 3-methylbut-2-enethioate

Supplier Sponsors

Name:S-propan-2-yl 3-methylbut-2-enethioate
CAS Number: 34365-79-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:251-966-7
Nikkaji Web:J287.917D
XlogP3-AA:2.90 (est)
Molecular Weight:158.26378000
Formula:C8 H14 O S
NMR Predictor:Predict (works with chrome, Edge 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
JECFA Food Flavoring:1679 S-isopropyl 3-methylbut-2-enethioate
DG SANTE Food Flavourings:12.134 S-isopropyl 3-methylbut-2-enethioate
FEMA Number:4260 S-isopropyl 3-methylbut-2-enethioate
FDA:No longer provide for the use of these seven synthetic flavoring substances
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00600 to 1.01200 @ 25.00 °C.
Pounds per Gallon - (est).: 8.371 to 8.421
Refractive Index:1.48600 to 1.49200 @ 20.00 °C.
Boiling Point: 236.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.062000 mmHg @ 25.00 °C. (est)
Vapor Density:5.4 ( Air = 1 )
Flash Point: 149.00 °F. TCC ( 65.00 °C. )
logP (o/w): 2.709 (est)
Soluble in:
 water, very slightly
 water, 258.3 mg/L @ 25 °C (est)
Insoluble in:
Similar Items:note
allyl crotonate
isoamyl crotonate
apple crotonate
benzyl crotonate
butyl (E)-2-crotonate
citronellyl crotonate
cyclohexyl crotonate
dimethyl benzyl carbinyl crotonate
ethyl (E)-2-crotonate
ethyl crotonate
fig crotonate
geranyl crotonate
heptyl crotonate
(Z)-3-hexen-1-yl (E)-crotonate
(E)-3-hexen-1-yl crotonate
hexyl (E)-crotonate
octyl crotonate
phenethyl crotonate
3-phenyl propyl crotonate
plum crotonate
isopropyl (E)-crotonate
propyl crotonate
Organoleptic Properties:
Odor Type: green
green galbanum alliaceous earthy
Odor Description:at 1.00 % in dipropylene glycol. green galbanum alliaceous
Odor and/or flavor descriptions from others (if found).
Taytonn ASCC
S-Isopropyl 3-Methylbut-2-Enethioate
Odor Description:Galbanum, Green
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
For experimental / research use only.
2-Butenethioic acid,3-methyl-, S-(1-methylethyl) ester
Beijing Lys Chemicals
S-Isopropyl 3-methylbut-2-enethioate
BOC Sciences
For experimental / research use only.
isoPropyl 3-methylthio-2-butenoate
Endeavour Specialty Chemicals
S-Isopropyl 3-methylbut-2-enethioate
Speciality Chemical Product Groups
Penta International
R C Treatt & Co Ltd
Isopropyl 3-methylbut-2-enethioate
Robinson Brothers
S-Isopropyl 3-methylbut-2-enethioate
Taytonn ASCC
S-Isopropyl 3-Methylbut-2-Enethioate
Odor: Galbanum, Green
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
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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for isopropyl 3-methyl thiocrotonate usage levels up to:
  0.2000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 370 (μg/person/day)
NOEL (No Observed Effect Level): 6.5 (mg/kg bw per day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 0.400002.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.200001.00000
cheese: 0.400002.00000
chewing gum: --
condiments / relishes: 0.200001.00000
confectionery froastings: 0.400002.00000
egg products: --
fats / oils: 0.200001.00000
fish products: 0.100000.40000
frozen dairy: 0.400002.00000
fruit ices: 0.400002.00000
gelatins / puddings: 0.400002.00000
granulated sugar: --
gravies: 0.200001.00000
hard candy: 0.400002.00000
imitation dairy: 0.400002.00000
instant coffee / tea: --
jams / jellies: --
meat products: 0.100000.40000
milk products: 0.400002.00000
nut products: --
other grains: 0.200001.00000
poultry: 0.100000.40000
processed fruits: 0.300001.50000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.200001.00000
snack foods: 1.000005.00000
soft candy: 0.400002.00000
soups: 0.200001.00000
sugar substitutes: --
sweet sauces: 0.200001.00000
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):34365-79-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :118658
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
S-propan-2-yl 3-methylbut-2-enethioate
 S-propan-2-yl 3-methylbut-2-enethioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:34365-79-2
Pubchem (cid):118658
Pubchem (sid):135074836
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB32354
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
For Odor
cotinus coggygria branch/leaf oil
allyl amyl glycolate
butyl thioisovalerate
galbanum decatriene
galbanum oxyacetate
galbascone (IFF)
leafy oxime
propyl thioisovalerate
spirogalbanone (Givaudan)
galbanum oxathiane
tropical oxathiane
For Flavor
No flavor group found for these
butyl thioisovalerate
cotinus coggygria branch/leaf oil
propyl thioisovalerate
galbanum decatriene
galbanum oxathiane
tropical oxathiane
Potential Uses:
Occurrence (nature, food, other):note
 found in nature
2-butenethioic acid, 3-methyl-, S-(1-methylethyl) ester
S-1-methyl ethyl 3-methyl but-2-ene thioate
3-methyl-2-butene thioic acid S-(1-methyl ethyl) ester
S-1-methylethyl 3-methylbut-2-enethioate
S-(1-methylethyl) 3-methyl-2-butenethioate
2-nutenethioic acid,3-methyl-, S-(1-methylethyl) ester
S-propan-2-yl 3-methylbut-2-enethioate
S-isopropyl 3-methyl but-2-ene thioate
isopropyl 3-methyl thio-2-butenoate
S-isopropyl 3-methyl thiocrotonate
S-isopropyl 3-methylbut-2-enethioate
isopropyl 3-methylthio-2-butenoate
S-isopropyl 3-methylthiocrotonate
isopropyl thio-3-methylcrotonate
S-isopropyl thiosenecioate
Used as a food additive [EAFUS]
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