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
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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 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
citronellal / methyl anthranilate schiff's base
FR
dimyrcetol (IFF)
FR
homo
geranyl nitrile
FR
tetrahydromyrcenyl acetate
FR
floral
anise indene
FR
citronellyl ethyl ether
FR
dihydromyrcene
FR
neryl ethyl ether
FR
tetrahydrolinalyl acetate
FR
fruity
ocimen-1-yl acetate
FR
green
agrumen aldehyde
FR
herbal
acorus calamus rhizome oil
FR
chrysanthemum ketone
FR
dimethyl cyclormol (IFF)
FR
eucalyptus citriodora oil
FR
cis-
herbal cyclohexane
FR
lavender stem oil lithuania
FR
petitgrain heptane
FR
saffron pyranone
FR
oswego
tea specialty
FR
pine
dipentene terpene hydrocarbon byproducts
FR
woody
2-
decalinyl acetate
FR
dihydro-alpha-terpinyl acetate
FR
For Flavor
 
Potential Uses:
 absinthe 
 agate 
 agrumen 
 ajowanFL/FR
 almond blossom 
 alpine bouquet 
 angel 
 angelicaFL/FR
 apple blossomFR
 arnicaFR
 ash mountain ash berry 
 ash mountain ash blossom 
 azaleaFR
 basilFL/FR
 bayFL/FR
 bayberryFR
 bergamotFR
 blossom 
 blossom tropical blossom 
 blue grass 
 blue mist 
 bluebell 
 bois de rose rosewoodFR
 boroniaFR
 botanical 
 bouquetFR
 boxwood blossom 
 cajuputFL/FR
 calamusFR
 camphorFL/FR
 capsicum 
 carawayFL/FR
 carnation dianthus oeilletFR
 carrot 
 carrot seedFL/FR
 cassia blossom 
 cassis black currant budFL/FR
 celeryFL/FR
 chamomileFR
 champaca champakFR
 cherry blossomFR
 chervil 
 chestnut blossom 
 chrysanthemum chrysanthemeFR
 chypreFR
 cilantroFL/FR
 clary sageFL/FR
 clematisFR
 clove blossom 
 clover trefle le'trefle incarnatFR
 cologneFR
 corianderFL/FR
 coronillaFR
 crabapple blossomFR
 cranberryFR
 cubebFL/FR
 cyclamenFR
 cypressFR
 daffodil narcissusFR
 dahlia 
 daisyFR
 daphneFR
 deertongueFR
 dillFL/FR
 dilleniaFR
 elder flowerFR
 eucalyptusFL/FR
 fagoniaFR
 fennelFL/FR
 fetesFR
 figFR
 floralFR
 flouveFR
 flouve blossom 
 flower shopFR
 forestFR
 forest pine forestFR
 frangipanni plumeriaFR
 freesiaFR
 gardeniaFR
 genet genista broomFR
 geraniumFR
 gin 
 ginger whiteFR
 gingergrassFR
 grass sweetFR
 greenhouseFR
 hawthornFR
 heatherFR
 heliotropeFR
 herbalFR
 hibiscusFR
 ho leafFR
 hollyberryFR
 honeysuckle chevrefeuilleFR
 hops houblonFL/FR
 hugonia 
 hyacinth jacintheFR
 hydrangeaFR
 hyssopFL/FR
 iris blossom 
 ivyFR
 jasminFR
 jonquil narcissus jonquillaFR
 kewda 
 kiwi blossom 
 lavandinFL/FR
 lavenderFR
 lavender spikeFL/FR
 lavender waterFL/FR
 lilac lilas syringaFR
 lilyFR
 lily calla lilyFR
 lily ginger lily 
 lily tiger lily 
 lily water lily 
 linaloe woodFL/FR
 linden blossom limeflower tilleulFR
 lotusFR
 lovageFL/FR
 magnoliaFR
 mango flowerFR
 marigold tageteFL/FR
 marjoramFL/FR
 mateFL/FR
 meadow countryFR
 melissa balmFL
 millefleurs 
 mimosaFR
 muguet lily of the valleyFR
 mulberryFR
 myrtleFL/FR
 narcissus narcisseFR
 neroliFR
 new car 
 niaouliFR
 orange blossomFR
 orchidFR
 oreganoFL/FR
 orris irisFR
 palmarosaFL/FR
 pansyFR
 parsleyFL/FR
 parsnip 
 passion blossomFR
 peach blossomFR
 pear blossomFR
 peonyFR
 petal flower petal 
 petal waxy petal 
 petal white petal 
 petitgrainFL/FR
 petitgrain bergamotFL/FR
 petitgrain lemonFL/FR
 petitgrain limeFL/FR
 petitgrain mandarinFL/FR
 petitgrain orange petitgrain 
 petitgrain tangerine petitgrain 
 petuniaFR
 phloxFR
 plum blossom 
 plum mirabille blossom 
 poppy 
 poppy redFR
 potpourriFR
 primrose 
 privet blossom 
 reseda mignonetteFR
 roseFR
 rose centifoliaFL/FR
 rose d'orientFR
 rose dog roseFR
 rose geraniumFR
 rose mossFR
 rose redFR
 rose tea roseFR
 rose whiteFR
 rose wild rose 
 rosemaryFR
 rueFL/FR
 saffronFR
 savinFL/FR
 spruceFL/FR
 stephanotisFR
 stock evening scentedFR
 sweet peaFR
 tansyFR
 tea 
 tea black 
 tea china 
 tea greenFR
 tea herbal 
 tea lemon 
 thymeFL/FR
 tuberoseFR
 tulipFR
 valerianFL/FR
 violetFR
 wallflowerFR
 wisteria wistaria glycineFR
 witch hazelFR
 woodruff asperulaFR
 wormwood absinthiumFL/FR
 yewFR
 ylang ylangFR
 
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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