herbal undecanol
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IUPAC name :4-methyl-1-oxaspiro[5.5]undec-2-ene
InChI :InChI=1/C11H18O/c1-10-5-8-12-11(9-10)6-3-2-4-7-11/h5,8,10H,2-4,6-7,9H2,1H3
InChIKey :WJHAXQNOQJKTQV-UHFFFAOYAI
SMILES :CC1CC2(CCCCC2)OC=C1
cas number :68228-06-8
(EINECS) number :269-401-8
molar refractivity :50.52 ± 0.4 cm3
parachor :413.7 ± 6.0 cm3
index of refraction :1.494 ± 0.03
surface tension :32.3 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :20.03 ± 0.5 10-24cm3
XlogP : 3.40
molecular weight : 166.2600200 (IUPAC)
formula :C11 H18 O
NMR Predictor :Predict
 
 
IUPAC name :4-methyl-1-oxaspiro[5.5]undecan-4-ol
InChI :InChI=1/C11H20O2/c1-10(12)7-8-13-11(9-10)5-3-2-4-6-11/h12H,2-9H2,1H3
InChIKey :WTYRGXLTFZYIIM-UHFFFAOYAW
SMILES :CC1(CCOC2(C1)CCCCC2)O
cas number :57094-40-3
(EINECS) number :260-558-8
molar refractivity :52.18 ± 0.4 cm3
parachor :441.4 ± 6.0 cm3
index of refraction :1.499 ± 0.03
surface tension :38.2 ± 5.0 dyne/cm
density :1.03 ± 0.1 g/cm3
polarizability :20.68 ± 0.5 10-24cm3
XlogP : 2.10
molecular weight : 184.2753000 (IUPAC)
formula :C11 H20 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
IFF :Oxaspirane
≥95% (sum of isomers)
Odor:  Herbal, Minty, Camphoraceous, Lavender
Powerful, herbal, minty, camphoraceous notes reminding of cedarleaf and the lavendaceous, pine family.
organoleptics :
odor type :herbal
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		herbal rosemary mint camphor thujone tropical
Luebke, William tgsc, (1991)
odor sample from :International Flavors & Fragrances Inc.
substantivity :12  Hour(s)
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.95200 to 0.95900 @ 25.00 °C.
pounds per gallon - calc. : 7.922 to 7.980
refractive index :1.48200 to 1.48700 @ 20.00 °C.
boiling point : 270.00 to 271.00 °C. @ 760.00 mm Hg
flash point : 178.00  °F.  TCC  ( 81.11 °C. )
logP (o/w) : 2.18
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for herbal undecanol fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for herbal undecanol flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
4-methyl-1-oxaspiro[5.5]undec-2-ene
(EINECS) number :269-401-8
chemidplus :068228068
EPA Substance Registry Services :68228-06-8
 
 
 
4-methyl-1-oxaspiro[5.5]undecan-4-ol
(EINECS) number :260-558-8
chemidplus :057094403
EPA Substance Registry Services :57094-40-3
references :
 
4-methyl-1-oxaspiro[5.5]undec-2-ene
pubchem :068228068
 
4-methyl-1-oxaspiro[5.5]undecan-4-ol
pubchem :669553
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 herbal undecanol
4-methyl-1-oxaspiro-4-undecanol
4-methyl-1-oxaspiro(5.5)undecan-4-ol
4-methyl-1-oxaspiro[5.5]undecan-4-ol
 oxaspirane
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
potential blenders :    note
 amber dioxepineFR
 armoise oilFR
 balsam ketoneFR
3-benzyl-4-heptanoneFL/FR
 bergamot mint oilFR
isobornyl propionateFL/FR
 buchu leaf oilFL/FR
 cajuput oilFL/FR
 cajuput oil vietnamFL/FR
 cedarleaf oilFL/FR
 cedarleaf oil terpenelessFR
 cedarleaf oil western redFR
 cedarwood oil lebanonFR
 chamomile oil moroccoFR
1,4-cineoleFL/FR
 cistus cyclohexanoneFL/FR
 cornmint oilFL/FR
 cornmint oil indiaFL/FR
 damascone carboxylateFR
isodihydrolavandulalFL/FR
isodihydrolavandulolCS
isodihydrolavandulyl acetateCS
 dihydromyrcenyl acetateFR
2,10-epoxypinaneFR
 ethyl linaloolFR
 farneseneFL/FR
dextro-fenchoneFL/FR
 freesia heptanolFL/FR
 geranic oxideFL/FR
 geranyl acetateFL/FR
 herbal dioxaneFR
 herbal ethanoneFR
 herbal undecanolFR
 hyssop oilFL/FR
 juniper carboxaldehydeFR
 lavandin oilFL/FR
 lavandin oil grossoFL/FR
 lavandin water absoluteFL/FR
 lavender absoluteFL/FR
 lavender oilFL/FR
 lavender oil bulgariaFL/FR
 lavender oil CO2 extract franceFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 lavender oil spike franceFL/FR
 lavender oil spike spainFL/FR
 lavender oil terpenelessFL/FR
 lavender spike absoluteFL/FR
 linalyl acetateFL/FR
 linalyl isobutyrateFL/FR
 linalyl isovalerateFL/FR
 linalyl valerateFL/FR
 marjoram oil sweet cubaFL/FR
 marjoram oil sweet egyptFL/FR
 menthadienyl formateFR
para-menthane-3,8-diolFL/FR
isomenthoneFL/FR
homomenthyl acetateFL/FR
laevo-menthyl acetateFL/FR
 methyl hexyl etherFL/FR
 myrcenolFL/FR
 myrcenyl acetateFL/FR
 nonisyl propionateFR
 nopyl acetateFR
 ocimen-1-yl acetateFR
 ocimene oxiraneFR
3-octanoneFL/FR
3-octen-1-yl acetateFL/FR
 origanum oilFL/FR
 origanum oil turkeyFL/FR
 pennyroyal oilFL/FR
 phenoxyethyl propionateFL/FR
(Z,Z)-photocitral AFL
 pinocarveolFL/FR
 piperitenone oxideFL
 piperitoneFL/FR
 plectranthus glandulosus hook f. leaf oil cameroon 
 prenolFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil CO2 extractFL/FR
 rosemary oil moroccoFL/FR
 rosemary oleoresinFL/FR
 sage oilFL/FR
 sage oleoresinFL
 tagette carboxylateFR
 tansy flower oil canadaFR
 tansy flower oil dutchFR
 tansy leaf oil dutch 
 tansy oilFR
 tansy oil argentinaFR
alpha-terpinyl acetateFL/FR
 terpinyl butyrateFL/FR
 terpinyl formateFL/FR
 tetrahydromyrcenyl acetateFR
alpha-thujoneFR
beta-thujone 
 thyme oilFL/FR
 thyme oil whiteFL/FR
 tobacco noneneFR
laevo-verbenoneFL/FR
 woody ketoneFL/FR
potential uses :
 camphor
 cedarleaf
 clean
 herbal
 lavender
 mint
 musk
 pine
 rosemary
 woody
natural occurrence in :    note
 not found in nature  

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