bisabolene
Notes :
Neroli fixer.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
InChI :InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14+
InChIKey :XBGUIVFBMBVUEG-CCEZHUSRBG
SMILES :CC1=CC/C(=C(/C)\CCC=C(C)C)/CC1
(EINECS) number :207-805-8
cas number :495-62-5
fema number :3331
coe number :10979
jecfa number :1336
fl. number :01.016
molar refractivity :68.52 ± 0.3 cm3
parachor :549.2 ± 6.0 cm3
index of refraction :1.493 ± 0.02
surface tension :29.5 ± 3.0 dyne/cm
density :0.867 ± 0.06 g/cm3
polarizability :27.16 ± 0.5 10-24cm3
xlogp : 3.50
molecular weight : 204.3510600
formula :C15 H24
 
 
fda reg :unspecified h. number :2902.20
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
balsam citrus myrrh opoponax spicy
taste description³ :at 30.00 ppm.  
Citrus, woody, tropical, floral, fruity, astringent and green
substantivity :104  Hour(s)
properties : 
appearence :colorless to pale yellow clear oily liquid
assay : 86.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.88500 - 0.89500 @ 25.00 °C.
pounds per gallon - calc. : 7.364 to 7.447
refractive index :1.48800 - 1.49800 @ 20.00 °C.
boiling point : 148.00 °C. @ 18.00 mm Hg
boiling point : 504.00 °C. @ 760.00 mm Hg
logp : 6.70
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) : 215.00  °F.  TCC  ( 101.67 °C. )
  
recommendation for bisabolene usage levels up to :
  10.0000 % in the fragrance concentrate.
  
recommendation for bisabolene usage levels up to :
  30.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :207-805-8
chemidplus :000495625
epa-srs :495-62-5
  
other : 
 
references : 
jecfa number :1336
fl. number :01.016
pubchem :203630
NIST Chemistry WebBook :2051610372
  
reference : Mosciano, Gerard P&F 20, No. 4, 23, (1995)³
synonyms :
1,4(8),12-bisabolatriene
 bisabolene
gamma-bisabolene
4-(1,5-dimethyl-4-hexenylidene)-1-methyl cyclohexene
1-methyl-4-(1,5-dimethyl-4-hexenylidene)-1-cyclohexene
2-methyl-6-(4-methyl cyclohex-3-en-1-ylidene) hept-2-ene
soluble in :
 alcohol
insoluble in :
 water
stability :
 bath foam
 hair spray
 soap
(odor and/or flavor) blends with :
 allyl amyl glycolate
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisyl acetate
para-anisyl alcohol
 bay leaf oil
 beeswax absolute
 benzyl acetate
 benzyl propionate
 benzylidene acetone
 bergamot oil
 bois de rose oil
 buchu mercaptan
isobutyl cinnamate
 caraway seed oil
 carrot seed oil
 cassis pentanone
 cinnamyl alcohol
 citronella oils
 citronellol
 citronellyl acetate
 clary sage oil
 coriander seed oil
 costus valerolactone
para-cresyl caprylate
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
alpha-damascone
beta-damascone
 davana oil
gamma-decalactone
9-decen-1-ol
 dihydrojasmone
 dihydroterpinyl acetate
 dimethyl anthranilate
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl isobutyrate
 dodecanal
 ethyl (E,Z)-2,4-decadienoate
 ethyl 3-octenoate
 ethyl cinnamate
 ethyl phenyl acetate
isoeugenyl acetate
(E)-beta-farnesene
 floral pyranol
 gardenia amide
 gardenia oxide
 geraniol
 geranyl methyl tiglate
 green acetate
 gurjun balsam oil
 heliotropyl acetone
 heptanal dimethyl acetal
 herbal cyclohexane
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 leaf acetal
 leerall
 linalool
laevo-linalool
 linalool oxide
isolongifolene epoxide
 maltyl isobutyrate
 melon nonenoate
 methyl 2-(methyl thio) butyrate
 methyl cedryl ketone
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 methyl thiomethyl butyrate
 muguet carboxaldehyde
 muguet octadienol
 musks
 nerol
 nerolidol
(E)-nerolidol
 nonanal
 nonanol
 ocean propanal
3-octanol
 orris absolute
 passiflora acetate
 patchouli ethanone
 patchouli oil
1-penten-3-ol
 peony alcohol
 phenethyl acetate
 phenethyl alcohol
 phenethyl anthranilate
 phenethyl phenyl acetate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 santall
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
 terpinyl propionate
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical thiazole
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 verymoss
 violet leaf absolute
 violet methyl carbonate
 viridiflorol
 watermelon ketone
 woody acetate
 woody amylene
(odor and/or flavor) used in :
 apple green apple
 balsam
 banana
 bergamot
 berry
 cardamom
 citrus
 floral
 fruit
 grapefruit
 lemon
 lime
 mandarin
 myrrh
 opoponax
 orange
 orange blossom fleur d'oranger
 oriental
 pear
 pine needle
 pineapple
 spice
 tropical
 woody
natural occurrence in :
anise star anise
data pagebasil oil CO2 sweet @ trace%
data pagebasil oil sweet @ trace%
bergamot
camphor
cardamom
data pagecarrot weed oil @ 7.38%
data pagechamomile oil morocco @ 2.50%
data pagelavandin oil abrialis @ 0.05%
data pagelavandin oil grosso @ 0.10%
lemon
lime
opoponax
data pagepepper oil black india @ 1.20%
data pagepetitgrain lemon oil @ 0.87%
data pagephlomis fruticosa l. flower oil greece @ 12.60%
pine needle
sandalwood
data pageylang ylang oil CO2 extract @ 0.02%



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