coconut decanone
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IUPAC name :8-methyl-1-oxaspiro(4.5)decan-2-one
InChI :InChI=1/C10H16O2/c1-8-2-5-10(6-3-8)7-4-9(11)12-10/h8H,2-7H2,1H3
InChIKey :COWIMPXRUUJKQF-UHFFFAOYAC
SMILES :CC1CCC2(CC1)CCC(=O)O2
cas number :94201-19-1
(EINECS) number :303-602-4
molar refractivity :46.10 ± 0.4 cm3
parachor :391.2 ± 6.0 cm3
index of refraction :1.484 ± 0.03
surface tension :34.9 ± 5.0 dyne/cm
density :1.04 ± 0.1 g/cm3
polarizability :18.27 ± 0.5 10-24cm3
XlogP : 2.50
XlogP3-AA : 2.10
molecular weight : 168.2328400 (IUPAC)
formula :C10 H16 O2
NMR Predictor :Predict
 
 
IUPAC name :(Z)-8-methyl-1-oxaspiro(4.5)decan-2-one
cas number :91069-37-3
molecular weight : 168.2328400 (IUPAC)
formula :C10 H16 O2
 
 
IUPAC name :(E)-8-methyl-1-oxaspiro(4.5)decan-2-one
cas number :91069-40-8
molar refractivity :50.73 ± 0.4 cm3
parachor :431.3 ± 6.0 cm3
index of refraction :1.484 ± 0.03
surface tension :35.0 ± 5.0 dyne/cm
density :1.02 ± 0.1 g/cm3
polarizability :20.11 ± 0.5 10-24cm3
XlogP3-AA : 2.60
molecular weight : 182.2594200 (IUPAC)
formula :C11 H18 O2
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Givaudan :Methyl Laitone
10%/DPG
Odor:  Lactonic, Creamy, Coconut Milk, Coumarin
Methyl Laitone 10% is one of the new "spiro"-lactones developed and patented by Givaudan. It is extremely powerful and very effective in all accords where a creamy, fruity volume is required. It provides "cosmetic" body to white flower notes such as jasmine, gardenia, tuberose and ylang ylang, and to fruity accords like peach and osmanthus. In sandalwood accords it provides milkiness. Coupling with coumarin and hay notes makes it extremely interesting and polyvalent. Its dry note is very noticeable, especially on humid and dry fabric.
Vigon :Methyl Laitone
10% in DPG
organoleptics :
odor type :coconut
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description¹ :
at 10.00 % in dipropylene glycol.  		lactonic coconut meadow tropical creamy dairy plum
odor sample from :Vigon International, Inc.
substantivity :168  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
vapor pressure :0.02400 mm/Hg @ 20.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 1.81
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for coconut decanone fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for coconut decanone flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 
8-methyl-1-oxaspiro(4.5)decan-2-one
(EINECS) number :303-602-4
chemidplus :094201191
EPA Substance Registry Services :94201-19-1
 
 
 
(Z)-8-methyl-1-oxaspiro(4.5)decan-2-one
chemidplus :91069-37-3
EPA Substance Registry Services :91069-37-3
 
 
 
(E)-8-methyl-1-oxaspiro(4.5)decan-2-one
chemidplus :091069408
EPA Substance Registry Services :91069-40-8
references :
 
8-methyl-1-oxaspiro(4.5)decan-2-one
pubchem :752798
 
(Z)-8-methyl-1-oxaspiro(4.5)decan-2-one
pubchem :91069-37-3
 
(E)-8-methyl-1-oxaspiro(4.5)decan-2-one
pubchem :3787032
other :
reference : Luebke, William tgsc, (2008)¹
synonyms :
 methyl laitone
8-methyl-1-oxaspiro(4.5)decan-2-one
soluble in :
 alcohol
insoluble in :
 water
potential blenders :
 acetoinFL/FR
2-acetyl-2-thiazolineFL
isoamyl phenyl acetateFL/FR
 amyris wood oilFR
para-anisaldehydeFL/FR
 bay leaf oilFL/FR
 benzoin resinoidFL/FR
 benzyl isobutyl ether 
isobornyl acetateFL/FR
 caramel furanoneFL
 caraway seed oilFL/FR
 cassia bark oilFL/FR
 cedarwood oils 
 cinnamon leaf oilFL/FR
 clove bud oilFL/FR
 ethyl laurateFL/FR
 ethyl maltolFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 gardenia oxideFR
 guaiacwood oilFL/FR
 hazeltoneFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 immortelle absoluteFL/FR
 labdanum resinoidFR
laevo-linaloolFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl ionones 
 methyl phenyl acetateFL/FR
 musks 
 noisettal 
gamma-nonalactoneFL/FR
 nutmeg oilFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 peru balsam oilFL/FR
3-phenyl propyl alcoholFL/FR
 santallFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
 vanilla absoluteFL/FR
 verymossFR
potential uses :
 amber
 apricot
 balsam
 banana
 bay
 bay rum
 bouquet
 caramel
 cedarwood
 chocolate cocoa
 chypre
 coconut
 coconut tropical coconut
 femme
 fern fougere
 fig
 floral
 fracas
 fruit tropical fruit
 gardenia
 grass sweet grass
 hay new mown hay foin coupe
 honeysuckle chevrefeuille
 jasmin
 juniperberry
 lavender
 lilac lilas syringa
 lychee soapberry
 mace
 magnolia
 maple
 nutmeg
 orange
 orchid
 oriental
 osmanthus
 peach
 pina colada
 pine
 plum
 raspberry
 sandalwood
 strawberry
 tonka
 tuberose tubereuse
 vanilla
 woody
 ylang ylang cananga
natural occurrence in :
 not found in nature  



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