3,6-dimethyl-3-octyl acetate
3-octanol, 3,6-dimethyl-, acetate
 
Notes:
None found
Synonyms   Articles   Notes   Search
CAS Number: 60763-42-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 262-415-5
Nikkaji Web: J268.283D
XlogP3-AA: 3.80 (est)
Molecular Weight: 200.32168000
Formula: C12 H24 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
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
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 211.00 to  212.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.180000 mmHg @ 25.00 °C. (est)
Flash Point: 182.00 °F. TCC ( 83.60 °C. ) (est)
logP (o/w): 4.451 (est)
Soluble in:
 alcohol
 water, 5.056 mg/L @ 25 °C (est)
Insoluble in:
 water
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: floral
 
 sweet  floral  fruity  honey  waxy  
Odor Description:
at 100.00 %. 
sweet floral fruity honey waxy
 
Odor and/or flavor descriptions from others (if found).
 
 
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
 None found
Synonyms   Articles   Notes   Search   Top
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-rat LD50  > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 799, 1975.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 799, 1975.

Inhalation Toxicity:
Not determined
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 3,6-dimethyl-3-octyl acetate usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Recommendation for 3,6-dimethyl-3-octyl acetate flavor usage levels up to:
 not for flavor use.
Synonyms   Articles   Notes   Search   Top
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 60763-42-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 108506
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3,6-dimethyloctan-3-yl acetate
Chemidplus: 0060763420
Synonyms   Articles   Notes   Search   Top
References:
 3,6-dimethyloctan-3-yl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 60763-42-0
Pubchem (cid): 108506
Pubchem (sid): 135066193
Synonyms   Articles   Notes   Search   Top
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
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2915.39.9050
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
aldehydic
3-methyl-4-hexyl oxybutyraldehydeFR
balsamic
 cinnamyl formateFL/FR
3-phenyl propyl acetateFL/FR
berry
 currant fragranceFR
 gooseberry fragranceFR
 huckleberry fragranceFR
caramellic
 immortelle absoluteFL/FR
chocolate
 cocoa pentenalFL/FR
citrus
(R)-citronellyl nitrileFR
 citronitrile (Symrise)FR
2-heptanolFL/FR
fatty
 butyl undecylenateFL/FR
fermented
 methyl decanoateFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl isobutyrateFL/FR
 blue lagoon fragranceFR
 boronia specialtyFR
 cassie specialty (acacia farnesiana)FR
 cherry blossom fragranceFR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
(E)-citronellyl tiglateFL/FR
3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl esterFR
 cymbopogon validus leaf oilFR
gamma-damasconeFR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl hydrocinnamateFL/FR
 eucalyptus macarthurii oilFR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 hibiscus fragranceFR
 ionone mixed isomersFL/FR
 jasmin cyclopentanoneFR
 jasmin fragranceFR
 jasmin specialtyFR
isojasmoneFL/FR
 linalyl butyrateFL/FR
 longoza absolute replacerFR
 magnolia flower oil CO2 extractFL/FR
 magnolia specialtyFR
 menthadienyl formateFR
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFL/FR
1-(2-methyl allyl oxy)-3-methoxy-3-methyl-1-butaneFR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
pink nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower concreteFR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 orris rhizome concrete replacerFR
 osmanthus absolute replacerFR
 osmanthus concreteFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl acetateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl phenyl acetateFL/FR
 rose undeceneFR
 sambucus nigra flower oil CO2 extractFR
 souroubea specialtyFR
 star fruit oil cubaFL/FR
 stephanotis flower absolute replacerFR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
 tilia cordata flower oil CO2 extractFR
fruity
 allyl benzoateFR
red apple fragranceFR
 apricot essenceFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
 berry hexanoateFR
 butyl 2-naphthyl etherFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 decanal methyl enol etherFL/FR
(R)-gamma-dodecalactoneFL/FR
 eriocephalus punctulatus flower oilFR
 fig fragranceFR
 fig specialtyFR
 ginseneFR
 guava fragranceFR
 linalool oxide acetatesFL/FR
 melon fragranceFR
3-mercaptohexyl acetateFL/FR
 methyl bicycloheptenyl methyloxirane carboxylateFR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
 myrasconeFR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
 papaya fragranceFR
 papaya specialtyFR
 peach nitrileFR
 plum damascone (high alpha)FR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
(R)-styralyl acetateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
cis-woody acetateFR
green
isoamyl 3-(2-furan) propionateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 methyl (E)-3-hexenoateFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
 rosa damascena leaf absoluteFR
1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanoneFR
herbal
 chamomile isobutyrateFR
 chamomile propionateFR
american elder flower absoluteFR
 geranium cyclohexaneFR
 marigold absolute (tagetes patula)FR
 methyl cyclogeranate (Firmenich)FR
 tagete oil madagascarFL/FR
honey
 allyl phenyl acetateFL/FR
 methyl hydrocinnamateFL/FR
 methyl phenyl acetateFL/FR
medicinal
ortho-cresyl acetateFL/FR
melon
 honeydew fragranceFR
 melon specialtyFR
mentholic
laevo-menthyl acetateFL/FR
powdery
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
spicy
 crocus sativus stigma tinctureFR
 spicy acetoacetateFL/FR
sweet
 beeswax absolute replacerFR
tropical
 triflaige A (ZEON)FR
waxy
 dihydrocitronellyl acetateFL/FR
 methyl butyl phenyl acetateFL/FR
(E)-methyl geranateFL/FR
 phytyl acetateFL/FR
woody
2-decalinyl acetateFR
 melozol acetateFR
 rhubarb oxiraneFR
 
For Flavor
 
No flavor group found for these
isoamyl angelateFL/FR
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
ortho-cresyl acetateFL/FR
 dihydrocitronellyl acetateFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl hydrocinnamateFL/FR
 geranyl phenyl acetateFL/FR
 ionone mixed isomersFL/FR
 linalool oxide acetatesFL/FR
 magnolia flower oil CO2 extractFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
 methyl hydrocinnamateFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phytyl acetateFL/FR
isopropyl benzoateFL/FR
(R)-styralyl acetateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
 decanal methyl enol etherFL/FR
balsamic
3-phenyl propyl acetateFL/FR
citrus
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 cocoa pentenalFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 linalyl butyrateFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl phenyl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 phenethyl propionateFL/FR
 rhodinyl butyrateFL/FR
 apricot essenceFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 ethyl anthranilateFL/FR
2-heptanolFL/FR
 methoxymelonalFL/FR
para-methyl benzyl acetateFL/FR
alpha-methyl iononeFL/FR
3-nonanon-1-yl acetateFL/FR
 osmanthus concreteFL/FR
 phenethyl isovalerateFL/FR
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
(E)-citronellyl tiglateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 immortelle absoluteFL/FR
isojasmoneFL/FR
 methyl (E)-3-hexenoateFL/FR
honey
 allyl phenyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
minty
laevo-menthyl acetateFL/FR
spicy
 cinnamyl formateFL/FR
 spicy acetoacetateFL/FR
tropical
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
 phenethyl hexanoateFL/FR
4-phenyl-3-buten-2-olFL/FR
 rhodinyl phenyl acetateFL/FR
woody
 methyl ionyl acetateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
None Found
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
3,6-dimethyl octan-3-yl acetate
3,6-dimethyl-3-octanol acetate
3,6-dimethyl-3-octanyl acetate
3,6-dimethyloctan-3-yl acetate
3-octanol, 3,6-dimethyl-, acetate
Synonyms   Articles   Notes   Search   Top
Articles:
 None found yet.
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2020 Perflavory ™ Disclaimer Privacy Policy