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

sec-butyl-3-methyl but-2-ene thioate
3-methylthiocrotonic acid, S-sec-butyl ester

Sponsors

Name:S-butan-2-yl 3-methylbut-2-enethioate
CAS Number: 34322-09-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:251-938-4
Nikkaji Web:J287.901H
XlogP3-AA:3.40 (est)
Molecular Weight:172.29072000
Formula:C9 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 clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.94600 to 0.95200 @ 20.00 °C.
Pounds per Gallon - (est).: 7.881 to 7.931
Refractive Index:1.50100 to 1.50700 @ 20.00 °C.
Boiling Point: 185.00 to 187.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.022000 mm/Hg @ 25.00 °C. (est)
Vapor Density:5.9 ( Air = 1 )
Flash Point: 141.00 °F. TCC ( 60.56 °C. )
logP (o/w): 3.219 (est)
Soluble in:
 alcohol
 water, 84.61 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
green grassy herbal spicy
Odor Description:at 0.10 % in dipropylene glycol. green grassy herbal spicy
Odor and/or flavor descriptions from others (if found).
Taytonn
sec-Butyl-3-methyl But-2-ene Thioate
Odor Description:Grass, Green, Herbal/ Herbaceous, Spicy
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Beijing Lys Chemicals
sec Butyl 3-methylbut-2-enethioate
Moellhausen
Sec-BUTYL 3-METHYL-2-BUTENETHIOATE
Taytonn
sec-Butyl-3-methyl But-2-ene Thioate
Odor: Grass, Green, Herbal/ Herbaceous, Spicy
 
Safety Information:
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
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 36/37/39 - Wear suitable clothing, 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 sec-butyl-3-methyl but-2-ene thioate usage levels up to:
  1.0000 % in the fragrance concentrate.
 
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):34322-09-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :118148
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
S-butan-2-yl 3-methylbut-2-enethioate
Chemidplus:0034322093
 
References:
 S-butan-2-yl 3-methylbut-2-enethioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:34322-09-3
Pubchem (cid):118148
Pubchem (sid):135074689
 
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
No odor group found for these
arnica montana flower extract
FL/FR
para-
menth-1-en-9-al
FL/FR
aldehydic
aldehydic
agrumen nitrile
FR
alliaceous
dibutyl sulfide
FL/FR
animal
iso
butyl quinoline
FR
anise
sweet
fennel seed oil
FL/FR
anisic
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil CO2 extract
FL/FR
balsamic
cinnamyl formate
FL/FR
2-
phenyl propyl alcohol
FL/FR
cheesy
2-
heptanone
FL/FR
citrus
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
melissa absolute replacer
FL/FR
melissa oil replacer
FR
ocimene quintoxide
FL/FR
earthy
3-
octen-2-one
FL/FR
(S)-1-
octen-3-ol
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
fatty
(E)-2-
octenal
FL/FR
perillaldehyde propylene glycol acetal
FL/FR
floral
cassie absolute replacer
FL/FR
coriander seed oil
FL/FR
dihydrojasmone
FL/FR
dihydrorose oxide
FR
dimethyl benzyl carbinyl butyrate
FL/FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
geranium oil africa
FL/FR
geranium oil bourbon
FL/FR
geranium oil egypt
FL/FR
(Z)-
jasmone
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
mimosa absolute morocco
FL/FR
neryl formate
FL/FR
3-
nonanone
FL/FR
2-
pentyl cyclopentanone
FR
phenyl propyl phenyl acetate
FR
iso
phytol
FL/FR
(Z)-
rose oxide
FL/FR
rose pyran
FR
terpinyl isobutyrate
FL/FR
fruity
1,4-
diethyl-6,8-dioxabicyclo(3.2.1)octane
FR
green acetate
FR
herbanate (Givaudan)
FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
2-
methyl-2-pentenal
FL/FR
perillyl acetate
FL/FR
prenyl ethyl ether
FL/FR
tropical indene
FR
green
alfalfa absolute
FR
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
bark carbaldehyde
FR
butyl 2-methyl butyrate
FL/FR
iso
butyl heptanoate
FL/FR
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
2-sec-
butyl thiazole
FL/FR
carrot leaf oil (daucus carota ssp.maximus)
FR
3,7-
dimethyl-6-octenoic acid
FL/FR
green specialty
FR
heptanal (aldehyde C-7)
FL/FR
1-
heptanol
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
3-
hepten-2-one
FL/FR
heptyl heptanoate
FL/FR
hexanal dihexyl acetal
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexenal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl hexanoate
FL/FR
english
ivy leaf absolute
FR
lilac acetaldehyde
FL/FR
privet dioxane
FR
propylene acetal
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
agate fragrance
FR
alpha-
amyl cinnamyl formate
FL/FR
iso
amyl heptanoate
FL/FR
anethum graveolens herb oil
FL/FR
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
carrot seed oil (daucus carota ssp. maximus (desf.) ball)
FR
carum carvi fruit oil
FL/FR
carvacryl methyl ether
FL/FR
celery ketone
FL/FR
clary sage resin america
FR
coriander seed absolute
FL/FR
coriander seed concrete
FR
daucus carota fruit oil
FL/FR
dehydroxylinalool oxide
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
elder flower absolute (sambucus canadensis and s. nigra)
FR
sweet
grass fragrance
FR
herbal acetal
FR
cis-
herbal cyclohexane
FR
herbal dioxane
FR
herbal heptane
FR
hop absolute
FL/FR
hop oil
FL/FR
lavender absolute bulgaria
FL/FR
linalyl formate
FL/FR
linalyl octanoate
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
T-
muurolol
FL/FR
3-
nonanol
FL/FR
nonisyl formate
FR
3-
octanon-1-ol
FL/FR
1-
octen-3-yl acetate
FL/FR
oregano specialty
FR
curled
parsley leaf oil
FL/FR
curled
parsley seed oil
FL/FR
perillaldehyde
FL/FR
reseda absolute
FR
saffron indenone
FL/FR
safranal
FL/FR
tagete oil south africa
FL/FR
theaspirane
FL/FR
thymyl methyl ether
FL/FR
tricyclodecyl acetate
FR
viridiflorol
FL/FR
minty
betula lenta bark oil america
FL/FR
iso
pulegol
FL/FR
(-)-iso
pulegol
FL/FR
pine
dipentene terpene hydrocarbon byproducts
FR
spicy
iso
butyl (E,E)-2,4-decadienamide
FL/FR
iso
butyl angelate
FL/FR
carrot weed oil
FL/FR
carvacryl ethyl ether
FL/FR
cinnamaldehyde dimethyl acetal
FL/FR
(-)-
cubenol
FL/FR
cumin seed absolute
FL/FR
cuminaldehyde
FL/FR
cuminyl alcohol
FL/FR
black
currant bud absolute
FL/FR
iso
cyclogeraniol (IFF)
FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
gingergrass oil
FR
hollyberry fragrance
FR
ocimum gratissimum herb oil india
FR
origanum majorana oil
FL/FR
origanum majorana oil CO2 extract
FL/FR
origanum majorana oil morocco
FL/FR
outdoors specialty
FR
white
pepper oil
FL/FR
black
pepper oil CO2 extract
FL/FR
black
pepper oleoresin
FL/FR
saffron oil CO2 extract
FL/FR
sulfurous
lychee mercaptan acetate
FL/FR
woody
cedarwood oil himalaya
FR
cistus twig/leaf oil
FL/FR
patchouli absolute
FR
sandalwood oil
FL/FR
(±)-
tetrahydronootkatone
FL/FR
verdoxan
FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
2-
acetyl-4-isopropenyl pyridine
FL
2-
acetyl-4-isopropyl pyridine
FL
alpha-
amyl cinnamyl formate
FL/FR
arnica montana flower extract
FL/FR
iso
butyl (E,E)-2,4-decadienamide
FL/FR
butyl 2-methyl butyrate
FL/FR
iso
butyl heptanoate
FL/FR
4-
butyl thiazole
FL
2-sec-
butyl thiazole
FL/FR
carvacryl ethyl ether
FL/FR
carvacryl methyl ether
FL/FR
cassie absolute replacer
FL/FR
cistus twig/leaf oil
FL/FR
(±)-(cis+trans)-1,2-
dihydroperillaldehyde
FL
2,4-
dimethyl anisole
FL
dimethyl benzyl carbinyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
2-
ethyl pyridine
FL
fleabane oil (erigeron canadensis)
FL
3-(2-
furyl) acrolein
FL
(Z)-3-
hepten-1-ol
FL/FR
2-
heptenoic acid
FL
2-
heptyl cyclopropane carboxylic acid
FL
(E,E)-2,4-
hexadien-1-ol
FL
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexenoic acid
FL
linalyl formate
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
melissa absolute replacer
FL/FR
melissa oil
FL
para-
menth-1-en-9-al
FL/FR
3-(
methyl thio) hexanal
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
T-
muurolol
FL/FR
3-
nonanol
FL/FR
(E,E)-3,5-
octadien-2-one
FL
3-
octanon-1-ol
FL/FR
(S)-1-
octen-3-ol
FL/FR
perillaldehyde propylene glycol acetal
FL/FR
prenyl ethyl ether
FL/FR
2-
propyl thiazole
FL
propylene acetal
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
terpinyl isobutyrate
FL/FR
(±)-
tetrahydronootkatone
FL/FR
viridiflorol
FL/FR
hexyl 3-mercaptobutanoate
FL
alliaceous
alliaceous
truffle sulfide
FL
anise
sweet
fennel seed oil
FL/FR
berry
perillyl acetate
FL/FR
buttery
bovolide
FL
cheesy
2-
heptanone
FL/FR
citrus
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
cooling
theaspirane
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
creamy
3-
hepten-2-one
FL/FR
3-
octen-2-one
FL/FR
fatty
(E)-2-
octenal
FL/FR
floral
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
geranium oil africa
FL/FR
geranium oil bourbon
FL/FR
geranium oil egypt
FL/FR
mimosa absolute morocco
FL/FR
fruity
butyl heptanoate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl hexanoate
FL/FR
lilac acetaldehyde
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
2-
methyl-2-pentenal
FL/FR
neryl formate
FL/FR
tagete oil south africa
FL/FR
green
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
iso
butyl angelate
FL/FR
iso
butyl methyl ketone
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
carrot weed oil
FL/FR
celery ketone
FL/FR
dibutyl sulfide
FL/FR
heptanal (aldehyde C-7)
FL/FR
heptyl heptanoate
FL/FR
(E,E)-2,4-
hexadienal
FL
(Z)-3-
hexen-1-ol
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexenal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
3-
nonanone
FL/FR
ocimene quintoxide
FL/FR
1-
octen-3-yl acetate
FL/FR
2-
phenyl propyl alcohol
FL/FR
(Z)-
rose oxide
FL/FR
3,5,5-
trimethyl hexanol
FL/FR
herbal
iso
amyl heptanoate
FL/FR
anethum graveolens herb oil
FL/FR
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
carum carvi fruit oil
FL/FR
coriander seed absolute
FL/FR
coriander seed oil
FL/FR
daucus carota fruit oil
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
lavender absolute bulgaria
FL/FR
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil CO2 extract
FL/FR
origanum majorana oil
FL/FR
origanum majorana oil CO2 extract
FL/FR
curled
parsley leaf oil
FL/FR
curled
parsley seed oil
FL/FR
saffron indenone
FL/FR
juicy
lychee mercaptan acetate
FL/FR
minty
betula lenta bark oil america
FL/FR
(-)-iso
pulegol
FL/FR
iso
pulegol
FL/FR
musty
thymyl methyl ether
FL/FR
oily
iso
phytol
FL/FR
solvent
1-
heptanol
FL/FR
spicy
sweet
bay oleoresin
FL
cinnamaldehyde dimethyl acetal
FL/FR
cinnamyl formate
FL/FR
(-)-
cubenol
FL/FR
cumin seed absolute
FL/FR
cuminaldehyde
FL/FR
cuminyl alcohol
FL/FR
black
currant bud absolute
FL/FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
origanum majorana oil morocco
FL/FR
white
pepper oil
FL/FR
black
pepper oil CO2 extract
FL/FR
black
pepper oleoresin
FL/FR
perillaldehyde
FL/FR
saffron oil CO2 extract
FL/FR
waxy
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
woody
dehydroxylinalool oxide
FL/FR
(Z)-
jasmone
FL/FR
safranal
FL/FR
sandalwood oil
FL/FR
 
Potential Uses:
FRbalsam
FLcapsicum
FRgalbanum
 grass
FLgreen
FLherbal
 outdoors fresh outdoors
FLspice
 
Occurrence (nature, food, other):note
 galbanum
Search Trop Picture
 
Synonyms:
S-butan-2-yl 3-methylbut-2-enethioate
2-butenethioic acid, 3-methyl-, S-(1-methylpropyl) ester
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
S-sec-butyl 3-methylbut-2-enethioate
tert-butyl isopent-2-ne thioate
tert-butyl isopent-2-nethioate
sec-butyl S-senecthioate
sec-butyl-3-methyl but-2-enethioate
sec-butyl3-methbut-2-ene thioate
 galbanum thioate
3-methyl thiocrotonic acid S-sec-butyl ester
3-methylthiocrotonic acid, S-sec-butyl ester
 

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