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

isoamyl 3-methyl thiopropionate
propanoic acid, 3-(methylthio)-, pentyl ester

Sponsors

CAS Number: 93762-35-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:297-748-5
XlogP3-AA:2.50 (est)
Molecular Weight:190.30586000
Formula:C9 H18 O2 S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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:0.97300 to 0.97900 @ 25.00 °C.
Pounds per Gallon - (est).: 8.096 to 8.146
Refractive Index:1.45600 to 1.46100 @ 20.00 °C.
Boiling Point: 126.00 to 129.00 °C. @ 30.00 mm Hg
Boiling Point: 228.00 to 230.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.014000 mm/Hg @ 25.00 °C. (est)
Vapor Density:6.5 ( Air = 1 )
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 3.166 (est)
Soluble in:
 alcohol
 water, slightly
 water, 158.7 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
ethyl 3-methyl thiopropionate
methyl-3-methyl thiopropionate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
pineapple fruit tropical fruit sulfurous
Odor Description:at 0.10 % in dipropylene glycol. pineapple tropical fruit sulfurous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Endeavour Specialty Chemicals
Isoamyl 3-(methylthio)propionate 98% F&F
Speciality Chemical Product Groups
Robinson Brothers
IsoAmyl 3-(methylthio)propionate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Synerzine
isoAmyl 3-thiomethyl Propionate
Taytonn
isoAmyl 3-methylthiopropionate
Odor: Fruity, Sulphurous, Sweet
Treatt
Isoamyl 3-methylthio propionate
Halal, Kosher
 
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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing 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: flavoring agents
Recommendation for isoamyl 3-methyl thiopropionate usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :548370
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
pentyl 3-methylsulfanylpropanoate
Chemidplus:0093762357
 
References:
 pentyl 3-methylsulfanylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):548370
Pubchem (sid):135234222
 
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
Export Tariff Code:2915.50.3000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
methyl (E)-2-octenoate
FL/FR
caramellic
maltyl isobutyrate
FL/FR
maltyl propionate
FL/FR
chemical
propyl propionate
FL/FR
ethereal
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
allyl octanoate
FL/FR
methyl 2-hexenoate
FL/FR
floral
citronellyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl hexanoate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
fruity
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl butyrate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
(E,E)-
allyl sorbate
FL/FR
allyl sorbate
FL/FR
amyl butyrate
FL/FR
iso
amyl hexanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
benzyl isovalerate
FL/FR
iso
butyl 2-butenoate
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl furyl propionate
FL/FR
butyl hexanoate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl levulinate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
geranyl isovalerate
FL/FR
4-
heptanone
FL/FR
linalyl hexanoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 4-methyl valerate
FL/FR
methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isobutyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
propyl hexanoate
FL/FR
iso
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
2-
undecanone
FL/FR
vanilla carboxylate
FL/FR
green
cognac heptanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
heptanal dimethyl acetal
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
manzanate (Givaudan)
FL/FR
1-
penten-3-ol
FL/FR
sorbyl isobutyrate
FL/FR
herbal
benzyl octanoate
FL/FR
viridiflorol
FL/FR
nutty
2-
methyl-3-ethoxypyrazine
FL/FR
sulfurous
blackberry thiophenone
FL/FR
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
ethyl methyl mercaptopropionate
FL/FR
passiflora acetate
FL/FR
3-
thiohexanol
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
allyl nonanoate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl butyrate
FL/FR
(E,E)-
allyl sorbate
FL/FR
allyl sorbate
FL/FR
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
benzyl octanoate
FL/FR
blackberry thiophenone
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl 2-methyl-2-(methyl thio) propionate
FL
ethyl 3-methyl valerate
FL/FR
ethyl 3-octenoate
FL
ethyl cyclohexane propionate
FL/FR
linalyl hexanoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-hexenoate
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
sorbyl propionate
FL
2-
tropical oxathiane
FL/FR
viridiflorol
FL/FR
allyl thiohexanoate
FL
iso
butyl furyl propionate
FL/FR
3-
mercapto-3-methyl-1-butyl acetate
FL
sorbyl isobutyrate
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
caramellic
maltyl propionate
FL/FR
citrus
cognac heptanone
FL/FR
3-
mercaptoheptyl acetate
FL
cooling
manzanate (Givaudan)
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
allyl octanoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
floral
citronellyl acetate
FL/FR
tropical ionone
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
amyl butyrate
FL/FR
iso
amyl hexanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
benzyl isovalerate
FL/FR
iso
butyl butyrate
FL/FR
butyl butyrate
FL/FR
butyl hexanoate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl levulinate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
furfuryl valerate
FL
4-
heptanone
FL/FR
3-
mercaptohexyl hexanoate
FL
methionyl butyrate
FL
methyl (E)-2-octenoate
FL/FR
methyl 4-methyl valerate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
vanilla carboxylate
FL/FR
fusel
methyl butyrate
FL/FR
green
allyl butyrate
FL/FR
iso
butyl 2-butenoate
FL/FR
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
geranyl isovalerate
FL/FR
heptanal dimethyl acetal
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
1-
penten-3-ol
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
sulfurous
buchu mercaptan
FL/FR
ethyl methyl mercaptopropionate
FL/FR
S-
ethyl thioacetate
FL
methyl 2-(methyl thio) butyrate
FL
methyl 4-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
3-
thiohexanol
FL/FR
tropical 3-thiobutyrate
FL/FR
tropical
passiflora acetate
FL/FR
propyl propionate
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
allyl nonanoate
FL/FR
phenethyl hexanoate
FL/FR
propyl heptanoate
FL/FR
2-
undecanone
FL/FR
 
Potential Uses:
 fruit tropical fruit
FLpineapple
 
Occurrence (nature, food, other):note
 pineapple fruit
Search Trop Picture
 
Synonyms:
isoamyl 3-(methylthio)propionate
isoamyl 3-methylthio propionate
isoamyl 3-methylthiopropionate
isoamyl 3-thiomethyl propionate
isoamyl 3-thiomethylpropionate
isopentyl 3-(methyl thio) propionate
 pentyl 3-(methylsulfanyl)propanoate
 pentyl 3-(methylthio)propionate
 pentyl 3-methylsulfanylpropanoate
 propanoic acid, 3-(methylthio)-, pentyl ester
 

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