alpha-zingiberene
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IUPAC name :(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
InChI :InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15+/m0/s1
InChIKey :KKOXKGNSUHTUBV-LSDHHAIUBW
SMILES :CC1=CC[C@@H](C=C1)[C@@H](C)CCC=C(C)C
cas number :495-60-3
(EINECS) number :207-804-2
molar refractivity :68.51 ± 0.3 cm3
parachor :552.5 ± 6.0 cm3
index of refraction :1.484 ± 0.02
surface tension :28.5 ± 3.0 dyne/cm
density :0.854 ± 0.06 g/cm3
polarizability :27.15 ± 0.5 10-24cm3
XlogP : 4.60
XlogP3-AA : 5.20
molecular weight : 204.3510600 (IUPAC)
formula :C15 H24
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :Zingiberene
orders in chinese.
organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 100.00 %.  		spice fresh sharp
properties :
appearence :colorless clear oily liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87310 @ 20.00 °C.
refractive index :1.49399 @ 20.00 °C.
refractive index :1.49160 @ 30.00 °C.
boiling point : 167.00 to 168.00 °C. @ 50.00 mm Hg
boiling point : 126.00 to 127.00 °C. @ 10.00 mm Hg
flash point : 225.00  °F.  TCC  ( 107.22 °C. )
logP (o/w) : 6.60
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :natural substances and extractives
 
recommendation for alpha-zingiberene fragrance usage levels up to :
 not for fragrance use.
recommendation for alpha-zingiberene flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
 
 
 
 
(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
(EINECS) number :207-804-2
chemidplus :000495603
EPA Substance Registry Services :495-60-3
references :
 
(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
NIST Chemistry WebBook :495603
pubchem :669694
Flavornet :495-60-3
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(S-(R*,S*))-5-(1,5-dimethyl hexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene
(S-(R,S))-5-(1,5-dimethyl-4-hexenyl)-2-methyl-1,3-cyclohexadiene
(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
 zingiberene
(-)-zingiberene
soluble in :
 alcohol
insoluble in :
 water
potential uses :
 ginger
 oriental
natural occurrence in :    note
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