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

citrus ocimenol acetate
tetra hydro mugyl acetate (IFF)

Sponsors

Name:3,7-dimethyloctan-3-yl acetate
CAS Number: 20780-48-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:244-033-0
XlogP3-AA:3.80 (est)
Molecular Weight:200.32168000
Formula:C12 H24 O2
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:tetrahydromyrcenyl acetate
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
 
Physical Properties:
Appearance:colorless liquid (est)
Food Chemicals Codex Listed: No
Specific Gravity:0.86300 to 0.87100 @ 25.00 °C.
Pounds per Gallon - (est).: 7.181 to 7.248
Specific Gravity:0.86400 to 0.87200 @ 20.00 °C.
Pounds per Gallon - est.: 7.198 to 7.264
Refractive Index:1.42400 to 1.42800 @ 20.00 °C.
Boiling Point: 211.75 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.180000 mm/Hg @ 25.00 °C. (est)
Flash Point: 176.00 °F. TCC ( 80.00 °C. )
logP (o/w): 4.451 (est)
Soluble in:
 alcohol
 water, 5.056 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium
herbal citrus weedy cologne woody
Odor Description:at 100.00 %. herbal citrus weedy cologne woody
Luebke, William tgsc, (1990)
Odor sample from: International Flavors & Fragrances Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
The John D. Walsh Company
Tetra Hydro Mugyl Acetate
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for citrus ocimenol acetate usage levels up to:
  25.0000 % in the fragrance concentrate.
 
Recommendation for citrus ocimenol acetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):20780-48-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :89385
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,7-dimethyloctan-3-yl acetate
Chemidplus:0020780487
 
References:
 3,7-dimethyloctan-3-yl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:20780-48-7
Pubchem (cid):89385
Pubchem (sid):135046942
 
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:2915.39.9050
ChemSpider:View
 
Potential Blenders and core components note
For Odor
citrus
bergamot oil
FL/FR
(S)-(-)-
citronellal
FL/FR
citronellal / methyl anthranilate schiff's base
FR
dihydromyrcenol
FL/FR
dimyrcetol (IFF)
FR
dipentene
FL/FR
homo
geranyl nitrile
FR
ocimene quintoxide
FL/FR
ocimenol
FL/FR
tetrahydromyrcenyl acetate
FR
earthy
3-
octanol
FL/FR
floral
anise indene
FR
cilantro herb oil egypt
FL/FR
citronellyl acetate
FL/FR
citronellyl ethyl ether
FR
dihydrojasmone
FL/FR
dihydromyrcene
FR
geranyl tiglate
FL/FR
nerolidol
FL/FR
(E)-
nerolidol
FL/FR
neryl ethyl ether
FR
(Z)-
rose oxide
FL/FR
tetrahydrolinalool
FL/FR
tetrahydrolinalyl acetate
FR
fruity
ocimen-1-yl acetate
FR
green
agrumen aldehyde
FR
cilantro leaf oil
FL/FR
ivy carbaldehyde
FL/FR
3,5-
ivy carbaldehyde
FL/FR
3,6-
ivy carbaldehyde
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
acorus calamus rhizome oil
FR
chrysanthemum ketone
FR
(R)-(+)-
citronellal
FL/FR
dihydroterpinyl acetate
FL/FR
dimethyl cyclormol (IFF)
FR
eucalyptus citriodora oil
FR
freesia heptanol
FL/FR
geranic oxide
FL/FR
cis-
herbal cyclohexane
FR
jambu oleoresin
FL/FR
lavender oil terpeneless
FL/FR
lavender stem oil lithuania
FR
petitgrain heptane
FR
saffron pyranone
FR
oswego
tea specialty
FR
pine
dipentene terpene hydrocarbon byproducts
FR
spicy
cubeb oil CO2 extract (piper cubeba)
FL/FR
ginger oleoresin africa
FL/FR
ginger root oil cochin
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
terpenic
gamma-
terpinene
FL/FR
waxy
decanal dimethyl acetal
FL/FR
woody
2-
decalinyl acetate
FR
dihydro-alpha-terpinyl acetate
FR
alpha-
farnesene
FL/FR
polylimonene
FL/FR
sandal cyclopropane
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
(S)-(-)-
citronellal
FL/FR
(R)-(+)-
citronellal
FL/FR
decanal dimethyl acetal
FL/FR
dihydroterpinyl acetate
FL/FR
dipentene
FL/FR
ivy carbaldehyde
FL/FR
3,5-
ivy carbaldehyde
FL/FR
ocimenol
FL/FR
polylimonene
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
amber
amber
sandal cyclopropane
FL/FR
camphoreous
geranic oxide
FL/FR
citrus
bergamot oil
FL/FR
cilantro leaf oil
FL/FR
freesia heptanol
FL/FR
cooling
jambu oleoresin
FL/FR
floral
citronellyl acetate
FL/FR
dihydrojasmone
FL/FR
geranyl tiglate
FL/FR
tetrahydrolinalool
FL/FR
green
dihydromyrcenol
FL/FR
alpha-
farnesene
FL/FR
3,6-
ivy carbaldehyde
FL/FR
(E)-
nerolidol
FL/FR
nerolidol
FL/FR
ocimene quintoxide
FL/FR
(Z)-
rose oxide
FL/FR
herbal
cilantro herb oil egypt
FL/FR
lavender oil terpeneless
FL/FR
musty
3-
octanol
FL/FR
spicy
cubeb oil CO2 extract (piper cubeba)
FL/FR
ginger oleoresin africa
FL/FR
ginger root oil cochin
FL/FR
terpenic
gamma-
terpinene
FL/FR
 
Potential Uses:
FLabsinthe
FRagate
FRagrumen aldehyde
FL/FRajowan
 almond blossom
 alpine bouquet
 angel
FL/FRangelica
FRapple blossom
FRarnica flower
 ash mountain ash berry
 ash mountain ash blossom
FRazalea
FRbasil oil replacer
FRbayberry
FRbayberry
FRbergamot
 blossom
 blossom tropical blossom
FRblue grass
 blue mist
 bluebell
FRbois de rose
FRboronia
 botanical
FRbouquet
 boxwood blossom
FL/FRcajeput
FRcalamus oil replacer
FL/FRcamphor tree bark
FLcapsicum
FL/FRcaraway seed
FRcarnation
FLcarrot
FL/FRcarrot seed
 cassia blossom
FRcelery
FRchamomile
FRchampaca
FRcherry blossom
FLchervil
 chestnut blossom
FRchrysanthemum
FRchypre
FL/FRcilantro
FRclary sage oil replacer
FRclematis
 clove blossom
FRclover
FRcologne
FL/FRcoriander
FRcoronilla
FRcountry meadow
FRcrabapple blossom
FRcranberry
FL/FRcubeb
FL/FRcurrant bud absolute replacer
FRcyclamen
FRcypress oil replacer
FRdaffodil
 dahlia
FRdaisy
FRdaphne
FRdeertongue absolute replacer
FL/FRdill weed
FRdillenia
FRelder flower
FReucalyptus oil replacer
FRfagonia
FRfennel
FRfetes
FRfig
FRfloral
FRflouve
 flouve blossom
FRflower shop
FRforest
FRfrangipani plumeria
FRfreesia
FRgardenia
FRgenet
FRgeranium
FLgin
FRginger white ginger
FRgingergrass
FRgreenhouse
FRhawthorn
FRheather
FRheliotrope
FRherbal
FRhibiscus
FRho leaf
FRhollyberry
FRhoneysuckle
FRhop
 hugonia
FRhyacinth
FRhydrangea
FL/FRhyssop
FRiris blossom
FRivy
FRjasmin
FRjonquil
FRkewda
 kiwi blossom
FRlavandin
FRlavender
FL/FRlavender flower
FL/FRlavender spike lavender
FRlilac
FRlily
FRlily calla lily
FRlily ginger lily
FRlily of the valley
 lily tiger lily
FRlily water lily
FL/FRlinaloe wood
FRlinden flower
FRlotus
FL/FRlovage root
FRmagnolia
FRmango flower
FL/FRmarigold
FL/FRmarjoram
FRmelissa oil replacer
 millefleurs
FRmimosa
FRmulberry
FRmyrtle oil replacer
FRnarcissus
FRneroli
 new car
FRniaouli
FRorange blossom
FRorchid
FRoregano
FRorris
FRpalmarosa oil replacer
FRpansy
FL/FRparsley leaf
 parsnip
FRpassion blossom
FRpeach blossom
FRpear blossom
FRpeony
 petal flower petal
 petal waxy petal
 petal white petal
FRpetitgrain
FL/FRpetitgrain bergamot petitgrain
FL/FRpetitgrain lemon petitgrain
FL/FRpetitgrain lime petitgrain
FL/FRpetitgrain mandarin oil replacer
 petitgrain orange petitgrain
 petitgrain tangerine petitgrain
FRpetunia
FRphlox
FRpine forest
 plum blossom
 plum mirabille blossom
 poppy
FRpoppy red poppy
FRpotpourri
FRprimrose
 privet blossom
FRreseda
FRrose
FRrose absolute replacer
FRrose d'orient
FRrose dog rose
FRrose geranium
FRrose moss rose
FRrose red rose
FRrose tea rose
FRrose white rose
 rose wild rose
FRrosemary
FL/FRrue
FRsaffron
FL/FRsavin
FRscented stock
FRspruce
FRstephanotis
FRsweet grass
FRsweet pea
FL/FRtansy oil replacer
FLtea
FLtea black tea
 tea china
FRtea green tea
FLtea herbal tea
FLtea lemon tea
FRthyme oil white replacer
FRtuberose
FRtulip
FL/FRvalerian
FRviolet
FRwallflower
FRwisteria
FRwitch hazel
FRwoodruff
FRwormwood oil replacer
FL/FRyerba mate
FRyew
FRylang ylang
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3,7-dimethyl octan-3-yl acetate + 2,6-dimethyl-2-octyl acetate
2,6-dimethyl-2-octyl acetate + 3,7-dimethyl octan-3-yl acetate
3,7-dimethyloctan-3-yl acetate + 2,6-dimethyloctan-2-yl acetate
 tetra hydro mugyl acetate (IFF)
 tetrahydromugyl acetate (IFF)
 

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