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%
If you get a cover box over Sigma-aldrich web page, click here to set your country of origin.
Treatt :Bisabolol
ex Orange Oil
Odor:  Lemon, citrus, floral, tangy, fresh and clean
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 :
Category :flavor and fragrance agents
 
recommendation for alpha-bisabolol fragrance 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 cas# 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
Flavornet :515-69-5
Cosmetics :
Cosmetic uses : masking agents
skin conditioning
soothing agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FMA :listed
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
potential blenders :    note
6-acetoxydihydrotheaspiraneFL/FR
 amyl benzoateFL/FR
alpha-amyl cinnamyl formateFL/FR
 amyl isoeugenolFR
 basil absolute sweetFL/FR
 benzyl cinnamateFL/FR
 benzyl propionateFL/FR
isobutyl angelateFL/FR
alpha-butyl cinnamaldehydeFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
isobutyl quinolineFR
2-sec-butyl thiazoleFL/FR
4-butyl thiazoleFL
 cajuput oil vietnamFL/FR
alpha-campholenic aldehydeFL/FR
 cananga oilFL/FR
 cananga oil chinaFL/FR
 chamomile oilFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl formateFL/FR
 citronellyl acetateFL/FR
 citronellyl acetoneFL/FR
 citronellyl nitrileFR
 citronellyl oxyacetaldehydeFL/FR
 citronellyl propionateFL/FR
(-)-cubenol 
 cumin carbinolFR
 cuminaldehydeFL/FR
isocyclogeraniolFR
 cyclohexyl crotonateCS
 cyclohexyl ethyl alcoholFL/FR
 cyclohexyl salicylateFR
3-decanoneFL/FR
2-decen-1-alFL/FR
9-decen-1-alFL/FR
 dihydrogeranyl linaloolFR
 dihydrorose oxideFR
 dill weed oilFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
6,8-dimethyl-2-nonanolFR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 dipentene terpene hydrocarbon byproductsFR
 ethyl 4-pentenoateFL/FR
 ethyl laurateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 eucalyptus citriodora oilFR
 fig leaf absoluteFL
 floral butanalFR
 floral undecenoneFR
 geranium oilFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 grapefruit pentanolFR
 heptanalFL/FR
 heptanolFL/FR
 heptyl formateFL/FR
 herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
 hexadecanolFL/FR
(E,E)-2,4-hexadien-1-ol 
(E)-4-hexen-1-olFL
(Z)-4-hexen-1-olFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hexyl 2-furoateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl hexanoateFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
beta-ionolFL/FR
pseudoiononeFL
 ivy dioxolaneFR
 ivy leaf absoluteFR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 lily absoluteFR
laevo-limoneneFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 mandarine undecenalFL/FR
 marigold oil mexico 
alpha-methyl cinnamic alcoholFR
 methyl citronellateFL/FR
 methyl heptanoateFL/FR
para-methyl hydratropaldehydeFL/FR
 methyl hydrocinnamateFL/FR
 methyl octine carbonateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 mimosa absoluteFL/FR
 mistletoe absolute 
 muguet undecadienalFR
 neroli oilFL/FR
 nerolidolFL/FR
 neryl formateFL/FR
3-nonanon-1-yl acetateFL/FR
 nonisyl formateFR
 octanal dimethyl acetalFL/FR
(E)-2-octen-1-alFL/FR
3-octen-1-yl acetateFL/FR
 orange leaf absoluteFL/FR
 origanum oilFL/FR
 origanum oil turkeyFL/FR
 papaya isobutyrateFL/FR
2-pentyl cyclopentanoneFR
 perillaldehydeFL/FR
 phenethyl hexanoateFL/FR
 phenethyl salicylateFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
3-phenyl propyl propionateFL/FR
1-phenyl-1-propanolFL/FR
4-phenyl-3-buten-2-olFL/FR
(Z,E)-phytolFL/FR
isophytolFL/FR
2-propyl thiazoleFL
isopulegolFL/FR
 reseda absoluteFR
 rose butanoateFL/FR
 rose pyranFR
 sandal cyclopropaneFR
 seaweed absoluteFL/FR
 sweet pea absoluteFR
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 theaspiraneFL/FR
alpha-thujene 
 timber dioxolaneFR
 tolu balsam oilFL/FR
 tricyclodecenyl acetateFR
 tricyclodecyl acetateFR
 tropical indeneFR
(Z)-8-undecen-1-alFR
10-undecen-1-olFL/FR
 viridiflorolFL/FR
 waxy aldehydeFR
 wormwood oilFL/FR
potential uses :
 bergamot
 carrot
 floral
 ginger
 grapefruit
 guava
 lavender
 lemon
 lime
 orange
 pepper
 sandalwood
 ylang
natural occurrence in :    note
PbMdabies holophylla S
data pageartemisia campestris spp. glutinosa flower oil italy @ 7.00% S
data pageartemisia variabilis flower oil italy @ 1.00% S
data pagebergamot oil @ 0.007-0.030% S
 camomile flowers  
data pagecarrot seed oil @ 0.21% S
data pagecascarilla bark oil @ trace% S
data pagecedarwood oil atlanta @ 0.30% S
data pagecedarwood oil china @ 0.80% S
data pagecedarwood oil texas @ 0.40% S
data pagecedarwood oil virginia @ 0.60% S
data pagechamomile flower oil germany @ 0.51% S
data pagecroton cajucara benth. leaf oil brazil @ 0.40% S
data pagecubeb oil @ 0.37% S
data pagefleabane oil @ 0.40% S
data pageginger root oil CO2 extract australia @ 0.14% S
data pageguava fruit oil reunion @ 0.70% S
data pageguava leaf oil cuba @ 3.20% S
data pagejuniper branch oil @ 0.20% S
data pagelavender oil CO2 extract france @ 2.09% S
data pagelavender oil spike spain @ 0.23% S
data pagelemon oil california @ 0.04% S
data pagelime oil distilled mexico @ 0.06% S
data pagelime oil distilled peru @ 0.06% S
data pagelime oil expressed florida @ trace% S
data pagenepeta betonicifolia c.a. meyer oil turkey @ 0.20% S
data pagephoebe oil brazil @ 3.33% S
data pagepine needle oil dwarf @ trace% S
PbMdplinia cerrocampanensis barrie S
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 2.10% S
data pagepteronia oil @ 0.70% S
data pagerosemary oil france @ 0.00-0.27% S
data pagesandalwood oil east indian @ 0.26% S
data pagetansy oil marocco @ 0.60% S
data pagewormwood oil italy @ trace% S
data pagewormwood oil poland @ 0.74% S
data pageyarrow oil greece @ 0.10% S
data pageylang ylang oil @ 0.07% S
data pageylang ylang oil CO2 extract @ 0.61% S

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