beta-bisabolol
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IUPAC Name - 4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
InChI - InChI=1/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3
InChIKey - WTVHAMTYZJGJLJ-UHFFFAOYAG
SMILES - CC1=CCC(CC1)(C(C)CCC=C(C)C)O
CAS Number : 15352-77-9
Molar Refractivity :70.40 ± 0.3 cm3 (est)
Parachor :580.3 ± 6.0 cm3 (est)
Index of Refraction :1.495 ± 0.02 (est)
Surface Tension :33.5 ± 3.0 dyne/cm (est)
Density :0.921 ± 0.06 g/cm3 (est)
Polarizability :27.91 ± 0.5 10-24cm3 (est)
XlogP : 3.90 (est)
XlogP3-AA : 4.00 (est)
Molecular Weight : 222.3663400 (IUPAC) (PT) (112)
Formula :C15 H26 O
Pherobase Floral:view
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents
Suppliers :
Nanjing :ß-bisabolol,(1S)-1-[(1S)-1,5-dimethyl-4-hexenyl]-4-methyl-3-cyclohexen-1-ol
orders in chinese.
Organoleptics :
Odor Strength :medium
Odor Description:
at 100.00 %.  		citrus floral tangy lemon fresh sweet herbal
Properties :
Appearence :colorless clear viscous liquid
Assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
Specific Gravity :0.92110 @ 25.00 °C.
Refractive Index :1.49630 @ 20.00 °C.
Boiling Point : 305.00 to 307.00 °C. @ 760.00 mm Hg
Flash Point : 267.00  °F.  TCC  ( 130.56 °C. )
logP (o/w) : 5.19
Safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
Safety in Use :
Category :flavor and fragrance agents
 
Recommendation for beta-bisabolol fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.
Recommendation for beta-bisabolol flavor usage levels up to :
  30.0000 ppm in the flavor.
Safety References :
EPI System :view
 
 
 
 
4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
Chemidplus :015352779
EPA Substance Registry Services :15352-77-9
References :
 
4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
NIST Chemistry WebBook :1958385547
Pubchem :169832
Flavornet :15352-77-9
Other :
VCF-Online: VCF Volatile Compounds in Food
Synonyms :
(1S)-1-((1S)-1,5-dimethyl-4-hexenyl)-4-methyl-3-cyclohexen-1-ol
(S-(R*,R*))-1-(1,5-dimethyl-4-hexenyl)-4-methyl-3-cyclohexen-1-ol
4-methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
Soluble in :
 alcohol
Insoluble in :
 water
Potential Blenders :    note
isoamyl salicylateFL/FR
 bergamot oil bergaptene reduced italyFL/FR
isobutyl benzyl carbinolFL/FR
 butyl tiglateFL/FR
 carrot seed oil (daucus carota ssp. gummifer hook. fil.) spainFR
 chamomile isobutyrateFR
 chrysanthemum ketoneFR
2-decalinyl acetateFR
 decanal (aldehyde C-10)FL/FR
8,9-dehydrotheaspironeFL
2,4-dimethyl-3-cyclohexene-1-methanolFR
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
2-dodecanoneFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
2-ethyl-1-hexanolFL/FR
 freesia heptanolFL/FR
 grapefruit oil terpenesFL/FR
 heptyl formateFL/FR
 herbal pyranFR
(E,E)-2,4-hexadien-1-alFL
pseudoiononeFL
 karo karounde absoluteFR
 lavandin oil abrialisFL/FR
 lavender absolute bulgariaFL/FR
 lavender absolute franceFL/FR
 lavender concreteFL/FR
 lavender flower oil lithuaniaFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 lavender oil terpenelessFL/FR
 lavender oil terpenesFL/FR
 lavender stem oil lithuaniaFR
 lemon oil terpenesFL/FR
 lemongrass oil terpenesFL/FR
 lime oil terpenesFL/FR
 linaloolFL/FR
 mandarin oil (citrus reticulata nova var. mandarin) uruguayFL/FR
 myrtle oilFL/FR
 nerolidyl acetateFL/FR
(Z)-beta-ocimeneFL/FR
 petitgrain lemon oilFL/FR
 petitgrain oil terpeneless paraguayFL/FR
isophytolFL/FR
 prenyl salicylateFL/FR
alpha-terpineolFL/FR
 terpinyl isobutyrateFL/FR
(±)-2,4,8-trimethyl-7-nonen-2-olFL/FR
 undecanal dimethyl acetalFR
1-undecanolFL/FR
10-undecen-1-olFL/FR
 zdravetz oilFL/FR
Potential Uses :
 fixer 
 gingerFR
 grapefruitFR
 lemonFR
 limeFR
 orangeFR
Natural Occurrence in :    note
data pageayou wood oil @ 8.30% S
data pagebombycilaena erecta oil greece @ 0.30% S
data pagecascarilla bark oil @ trace% S
data pagecedrela wood oil @ 0.53% S
 cotton buds  
data pagecurcuma amada roxb. rhizome oil india @ 0.50% S
data pageguava leaf oil cuba @ 3.20% S
data pagelavandin oil abrialis @ 0.24% S
data pagelavandin oil grosso @ 0.40% S
data pagelavender oil spike france @ 0.02% S
 lemon  
data pagelemongrass oil @ 0.37% S
data pagepepper oil black india @ 0.20% S
data pagephlomis fruticosa l. flower oil greece @ 3.50% S
data pagephoebe oil brazil @ 2.50% S
data pagesandalwood oil east indian @ 0.64% S


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