alpha-bisabolol
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IUPAC name :(2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol
InChI :InChI=1/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1
InChIKey :RGZSQWQPBWRIAQ-LSDHHAIUBJ
SMILES :CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O
cas number :515-69-5
(EINECS) number :208-205-9
beilstein number :5733954
fema number :4666
coe number :10178
fl. number :02.129
molar refractivity :70.14 ± 0.3 cm3
parachor :580.3 ± 6.0 cm3
index of refraction :1.494 ± 0.02
surface tension :33.6 ± 3.0 dyne/cm
density :0.922 ± 0.06 g/cm3
polarizability :27.80 ± 0.5 10-24cm3
XlogP : 4.10
XlogP3-AA : 3.80
molecular weight : 222.3663400 (IUPAC)
formula :C15 H26 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Moellhausen :alpha-bisabolol
97% min. natural kosher
Odor:  diffusive, soft woody, mild floral, pepper and sandalwood note.
Flavor:  mild floral, dusty, woody, spicy and citrus note.
Sigma-Aldrich-Fluka :a-Bisabolol
technical, ≥85%
organoleptics :
odor type :floral
odor strength :low
odor description :
at 100.00 %.  		mild floral peppery note
properties :
appearence :colorless clear viscous liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
refractive index :1.49300 to 1.49700 @ 20.00 °C.
boiling point : 314.00 to 315.00 °C. @ 760.00 mm Hg
flash point : 275.00  °F.  TCC  ( 135.00 °C. )
logP (o/w) : 5.63
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
International Journal of Toxicology. Vol. 18

Intraperitoneal-Mouse    633.00  mg/kg
International Journal of Toxicology. Vol. 18

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for alpha-bisabolol usage levels up to :
  8.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 24
 average usual ppmaverage maximum ppm
baked goods : 4.0000020.00000
beverages(nonalcoholic) : 10.0000030.00000
beverages(alcoholic) : 10.0000030.00000
breakfast cereal : 10.0000030.00000
cheese : --
chewing gum : 50.00000500.00000
condiments / relishes : --
confectionery froastings : 20.00000100.00000
egg products : --
fats / oils : 10.0000050.00000
fish products : --
frozen dairy : 8.0000050.00000
fruit ices : 8.0000050.00000
gelatins / puddings : 8.0000050.00000
granulated sugar : --
gravies : --
hard candy : 20.00000100.00000
imitation dairy : 10.0000030.00000
instant coffee / tea : 10.0000050.00000
jams / jellies : --
meat products : --
milk products : 10.0000030.00000
nut products : --
other grains : --
poultry : --
processed fruits : 10.0000030.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 20.00000100.00000
snack foods : --
soft candy : 20.00000100.00000
soups : 8.0000050.00000
sugar substitutes : --
sweet sauces : --
safety references :
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 (2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol
(EINECS) number :208-205-9
RTECS :MJ9685000 for 515-69-5
chemidplus :000515695
EPA Substance Registry Services :515-69-5
references :
 (2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol
fl. number :02.129
NIST Chemistry WebBook :1000985341
pubchem :10524889
Cosmetics :
Cosmetic uses : masking agents
skin conditioning
soothing agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Household Products : Search
synonyms :
 bisabola-1,12-dien-8-ol
 bisabolol
dextro,laevo-alpha-bisabolol
(R*,R*)-(1)-alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl) cyclohex-3-ene-1-methanol
(R*,R*)-alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl) cyclohex-3-ene-1-methanol
alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol
 dragosantol
(2R)-6-methyl-2-((1R)-4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol
(2R)-6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol
1-methyl-4-(1-hydroxy-1,5,5-trimethyl-4-pentenyl) cyclohex-1-ene
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
 amyl benzoate
alpha-amyl cinnamyl formate
 amyl isoeugenol
 basil absolute sweet
 benzyl cinnamate
 benzyl propionate
isobutyl angelate
alpha-butyl cinnamaldehyde
isobutyl heptanoate
isobutyl methyl ketone
isobutyl quinoline
2-sec-butyl thiazole
4-butyl thiazole
 cajuput oil vietnam
alpha-campholenic aldehyde
 cananga oil
 cananga oil china
 chamomile oil
 cinnamyl cinnamate
 cinnamyl formate
 citronellyl acetate
 citronellyl acetone
 citronellyl nitrile
 citronellyl oxyacetaldehyde
 citronellyl propionate
(-)-cubenol
 cumin carbinol
 cuminaldehyde
isocyclogeraniol
 cyclohexyl crotonate
 cyclohexyl ethyl alcohol
 cyclohexyl salicylate
3-decanone
2-decen-1-al
9-decen-1-al
 dihydrogeranyl linalool
 dihydrorose oxide
 dill weed oil
 dill weed oil cuba
 dill weed oil reunion
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl formate
6,8-dimethyl-2-nonanol
2,4-dimethyl-3-cyclohexene-1-methanol
 dipentene terpene hydrocarbon byproducts
 ethyl 4-pentenoate
 ethyl laurate
 ethyl methyl-para-tolyl glycidate
 eucalyptus citriodora oil
 fig leaf absolute
 floral butanal
 floral undecenone
 geranium oil
 geranium oil africa
 geranium oil egypt
 geranyl acetone
 geranyl isobutyrate
 grapefruit pentanol
 heptanal
 heptanol
 heptyl formate
 herbal cyclohexane
 herbal dioxane
 herbal heptane
 hexadecanol
(E,E)-2,4-hexadien-1-ol
(E)-4-hexen-1-ol
(Z)-4-hexen-1-ol
3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl salicylate
 hexyl 2-furoate
alpha-hexyl cinnamaldehyde
 hexyl hexanoate
 hop absolute
 hop oil
beta-ionol
pseudoionone
 ivy dioxolane
 ivy leaf absolute
 jasmin cyclopentanol
 jonquil absolute
 lily absolute
laevo-limonene
 linalyl formate
 linalyl octanoate
 mandarine undecenal
 marigold oil mexico
alpha-methyl cinnamic alcohol
 methyl citronellate
 methyl heptanoate
para-methyl hydratropaldehyde
 methyl hydrocinnamate
 methyl octine carbonate
(E)-6-methyl-3-hepten-2-one
 mimosa absolute
 mistletoe absolute
 muguet undecadienal
 neroli oil
 nerolidol
 neryl formate
3-nonanon-1-yl acetate
 nonisyl formate
 octanal dimethyl acetal
(E)-2-octen-1-al
3-octen-1-yl acetate
 orange leaf absolute
 origanum oil
 origanum oil turkey
 papaya isobutyrate
2-pentyl cyclopentanone
 perillaldehyde
 phenethyl hexanoate
 phenethyl salicylate
2-phenyl propionaldehyde ethylene glycol acetal
3-phenyl propyl propionate
1-phenyl-1-propanol
4-phenyl-3-buten-2-ol
(Z,E)-phytol
isophytol
2-propyl thiazole
isopulegol
 reseda absolute
 rose butanoate
 rose pyran
 sandal cyclopropane
 seaweed absolute
 sweet pea absolute
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 theaspirane
alpha-thujene
 timber dioxolane
 tolu balsam oil
 tricyclodecenyl acetate
 tricyclodecyl acetate
 tropical indene
(Z)-8-undecen-1-al
10-undecen-1-ol
 viridiflorol
 waxy aldehyde
 wormwood oil
(odor and/or flavor) used in :
 floral
 pepper
natural occurrence in :
data pageartemisia campestris spp. glutinosa flower oil italy @ 7.00%
data pageartemisia variabilis flower oil italy @ 1.00%
data pagebergamot oil @ 0.007-0.030%
camomile flowers
data pagecarrot seed oil @ 0.21%
data pagecascarilla bark oil @ trace%
data pagecedarwood oil atlanta @ 0.30%
data pagecedarwood oil china @ 0.80%
data pagecedarwood oil texas @ 0.40%
data pagecedarwood oil virginia @ 0.60%
data pagechamomile flower oil germany @ 0.51%
data pagecroton cajucara benth. leaf oil brazil @ 0.40%
data pagecubeb oil @ 0.37%
data pagefleabane oil @ 0.40%
data pageginger root oil CO2 extract australia @ 0.14%
data pageguava fruit oil reunion @ 0.70%
data pageguava leaf oil cuba @ 3.20%
data pagejuniper branch oil @ 0.20%
data pagelaurel leaf oil turkey @ 4.2%
data pagelavender oil CO2 extract france @ 2.09%
data pagelavender oil spike spain @ 0.23%
data pagelemon oil california @ 0.04%
data pagelime oil distilled mexico @ 0.06%
data pagelime oil distilled peru @ 0.06%
data pagelime oil expressed florida @ trace%
data pagenepeta betonicifolia c.a. meyer oil turkey @ 0.20%
data pagephoebe oil brazil @ 3.33%
data pagepine needle oil dwarf @ trace%
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 2.10%
data pagepteronia oil @ 0.70%
data pagerosemary oil france @ 0.00-0.27%
data pagesandalwood oil east indian @ 0.26%
data pagetansy oil marocco @ 0.60%
data pagewormwood oil italy @ trace%
data pagewormwood oil poland @ 0.74%
data pageyarrow oil greece @ 0.10%
data pageylang ylang oil @ 0.07%
data pageylang ylang oil CO2 extract @ 0.61%



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