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

ethyl 3,5,5-trimethyl hexanoate
3,5,5-trimethyl hexanoic acid ethyl ester

Sponsors

Name:ethyl 3,5,5-trimethylhexanoate
CAS Number: 67707-75-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:266-959-4
Nikkaji Web:J333.323J
XlogP3-AA:3.50 (est)
Molecular Weight:186.29474000
Formula:C11 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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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:0.86000 @ 25.00 °C.
Refractive Index:1.41800 to 1.42200 @ 20.00 °C.
Boiling Point: 83.00 to 85.00 °C. @ 16.00 mm Hg
Vapor Pressure:0.470000 mm/Hg @ 25.00 °C. (est)
Flash Point: 167.00 °F. TCC ( 75.00 °C. )
logP (o/w): 3.941 (est)
Soluble in:
 alcohol
 water, 15.62 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 most media
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
Substantivity:8 hour(s) at 100.00 %
fruity apple green apple winey yeasty floral
Odor Description:at 100.00 %. fruity green apple wine yeast floral
Luebke, William tgsc, (1987)
Odor sample from: Henkel Corporation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Associate Allied Chemicals
Melusat
About
Ernesto Ventós
MELUSAT KAO
Odor: FRUITY, FLOWERY WITH APPLE NOTE
Kao Corporation
MELUSAT
Odor: Fruity, flowery with apple-and wine yeast-note
Penta International
ETHYL-3,5,5-TRIMETHYLHEXANOATE
Stort Chemicals
Melusat
 
Safety Information:
 
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:
oral-mouse LD50 5200 mg/kg
Henkel Corporation

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for ethyl 3,5,5-trimethyl hexanoate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for ethyl 3,5,5-trimethyl hexanoate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3017783
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
ethyl 3,5,5-trimethylhexanoate
Chemidplus:0067707759
 
References:
 ethyl 3,5,5-trimethylhexanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:67707-75-9
Pubchem (cid):3017783
Pubchem (sid):135249658
 
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
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
propyl 2-methyl butyrate
FL/FR
balsamic
balsamic
iso
amyl benzoate
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
terpinyl cinnamate
FL/FR
caramellic
diethyl malate
FL/FR
citrus
2-
heptanol
FL/FR
earthy
amyl octanoate
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
iso
butyl alcohol
FL/FR
2-
methyl valeraldehyde
FL/FR
fatty
butyl undecylenate
FL/FR
3-
decen-2-one
FL/FR
methyl (E)-2-hexenoate
FL/FR
fermented
amyl alcohol
FL/FR
hexanal diethyl acetal
FL/FR
methyl decanoate
FL/FR
3-
methyl-1-pentanol
FL/FR
propyl nonanoate
FL/FR
floral
boronia absolute
FL/FR
alpha-
damascone
FL/FR
(Z)-alpha-
damascone
FL/FR
gamma-
damascone
FR
dimethyl anthranilate
FL/FR
methyl citronellate
FL/FR
phenethyl butyrate
FL/FR
fruity
acetaldehyde hexyl isoamyl acetal
FL/FR
allyl amyl glycolate
FR
allyl butyrate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
amyl 2-methyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
amyl isobutyrate
FL/FR
iso
amyl isovalerate
FL/FR
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
cyclohexyl butyrate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
(E)-alpha-
damascone
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl malonate
FL/FR
diethyl sebacate
FL/FR
dimethyl succinate
FL/FR
eriocephalus punctulatus flower oil
FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 2-methyl butyrate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl acetoacetate
FL/FR
ethyl heptanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
farnesyl acetone
FL/FR
fruity ketal
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl acetoacetate
FL/FR
green acetate
FR
heptanal cyclic ethylene acetal
FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl isovalerate
FL/FR
methyl nonanoate
FL/FR
nerolidyl isobutyrate
FR
nonyl isovalerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
2-
pentanone
FL/FR
2-
pentyl furan
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl heptanoate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
rhubarb undecane
FR
sorbyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
(E,E)-5,6,7,7-
tetramethyl-2,5-octadien-4-one
FR
tropical indene
FR
tropical thiazole
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
iso
amyl formate
FL/FR
benzaldehyde dimethyl acetal
FL/FR
butyl heptanoate
FL/FR
alpha-
decalactone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
(E)-2-
hexenal propylene glycol acetal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
hexyl phenyl acetate
FL/FR
manzanate (Givaudan)
FL/FR
methyl (E)-3-hexenoate
FL/FR
3-
octyl formate
FL/FR
(E)-2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
propyl tiglate
FL/FR
violet dienyne
FR
herbal
iso
amyl tiglate
FL/FR
ethyl chrysanthemate
FR
phenethyl senecioate
FL/FR
honey
methyl hydrocinnamate
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
spicy
cinnamyl isovalerate
FL/FR
tropical
beta-
cyclocitral
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl laurate
FL/FR
ethyl decanoate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
octyl 2-methyl butyrate
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
woody
lariciu
pine needle oil
FR
verdoxan
FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
acetaldehyde hexyl isoamyl acetal
FL/FR
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
amyl octanoate
FL/FR
iso
amyl tiglate
FL/FR
butyl angelate
FL/FR
cyclohexyl butyrate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
(Z)-alpha-
damascone
FL/FR
alpha-
decalactone
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl malate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
farnesyl acetone
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl acetoacetate
FL/FR
hexanal diethyl acetal
FL/FR
2-
hexanol
FL/FR
(E)-2-
hexenal propylene glycol acetal
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl hydrocinnamate
FL/FR
2-
methyl-1-butanol
FL/FR
nonyl isovalerate
FL/FR
phenethyl senecioate
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
propyl 2-methyl butyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
propyl nonanoate
FL/FR
propyl tiglate
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
cooling
manzanate (Givaudan)
FL/FR
estery
ethyl acetoacetate
FL/FR
ethereal
iso
butyl alcohol
FL/FR
fatty
iso
amyl laurate
FL/FR
methyl decanoate
FL/FR
floral
methyl citronellate
FL/FR
fruity
iso
amyl 2-methyl butyrate
FL/FR
iso
amyl acetoacetate
FL/FR
iso
amyl benzoate
FL/FR
iso
amyl octanoate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
boronia absolute
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl heptanoate
FL/FR
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isovalerate
FL/FR
alpha-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
diethyl malonate
FL/FR
diethyl sebacate
FL/FR
dimethyl anthranilate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl heptanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
2-
heptanol
FL/FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
hexyl phenyl acetate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl isovalerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
2-
pentanone
FL/FR
phenethyl butyrate
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
sorbyl butyrate
FL/FR
terpinyl cinnamate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
fusel
amyl alcohol
FL/FR
green
allyl butyrate
FL/FR
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
benzaldehyde dimethyl acetal
FL/FR
3-
decen-2-one
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
tropical
beta-
cyclocitral
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
2-
octen-4-one
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl butyrate
FL/FR
butyl undecylenate
FL/FR
ethyl decanoate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
3-
octyl formate
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
FRapple
FRfloral
FRfruit
FRgreen
FLyeast
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 ethyl 3,5,5-trimethylhexanoate
 ethyl-3,5,5-trimethylhexanoate
 hexanoic acid, 3,5,5-trimethyl-, ethyl ester
 melusat
3,3,5-trimethyl ethyl caproate
3,3,5-trimethyl ethyl hexanoate
3,5,5-trimethyl hexanoic acid ethyl ester
 

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