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
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
molecular weight : 170.2487200 (IUPAC)
formula :C10 H18 O2
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Givaudan :Methyl Laitone
10%/DPG
Odor:  Lactonic, Creamy, Coconut Milk, Coumarin.
Vigon :Methyl Laitone
10% in DPG
organoleptics :
odor type :coconut
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :¹
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 usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for coconut decanone 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
(odor and/or flavor) blends with :
 acetoin
2-acetyl-2-thiazoline
isoamyl phenyl acetate
 amyris wood oil
para-anisaldehyde
 bay leaf oil
 benzoin resinoid
 benzyl isobutyl ether
isobornyl acetate
 caramel furanone
 caraway seed oil
 cassia bark oil
 cedarwood oils
 cinnamon leaf oil
 clove bud oil
 ethyl laurate
 ethyl maltol
 ethyl vanillin
isoeugenyl acetate
 gardenia oxide
 guaiacwood oil
 hazeltone
 heliotropin
 heliotropyl acetone
 immortelle absolute
 labdanum resinoid
laevo-linalool
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl ionones
 methyl phenyl acetate
 musks
 noisettal
gamma-nonalactone
 nutmeg oil
 ocean propanal
gamma-octalactone
 peru balsam oil
3-phenyl propyl alcohol
 santall
 tonka bean absolute
gamma-undecalactone
 vanilla absolute
 verymoss
(odor and/or flavor) used in :
 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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