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
(EINECS) number :207-804-2
cas number :495-60-3
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
molecular weight : 204.3510600
formula :C15 H24
 
 
export tariff code :unspecified
fda reg :unspecified
 

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
logp : 6.60

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 225.00  °F.  TCC  ( 107.22 °C. )
recommendation for alpha-zingiberene usage levels up to :
  5.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 (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
NLM Chemical Carcinogenesis Research Information System :495-60-3
NLM Developmental and Reproductive Toxicity :495-60-3
NLM Env. Mutagen Info. Center :495-60-3
NLM GENetic TOXicology :495-60-3

references :
 (5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
pubchem :669694

other :
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
 zingiberene
(-)-zingiberene
alpha-zingiberene

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) used in :
 ginger
 oriental

natural occurrence in :
data pageamyris wood oil @ 3.50%
data pagecostmary oil @ 0.49%
data pagecurcuma amada roxb. rhizome oil india @ 1.40%
curcuma zedoaria rosc. roots
data pagefleabane oil @ 0.20%
ginger root
data pageginger root oil brazil @ 19.00%
data pageginger root oil china @ 0.28%
data pageginger root oil CO2 extract @ 24.70%
data pageginger root oil CO2 extract australia @ 25.87%
data pageguava leaf oil cuba @ 0.70%
data pagekachur oil @ 0.50%
data pagelemon verbena oil turkey @ 0.27%
data pageparsley leaf oil @ 0.05%
data pagephlomis fruticosa l. flower oil greece @ 0.80%
data pageturmeric oil china @ 8.14%
data pageturmeric root oil vietnam @ 1.50%
data pageviolet flower absolute @ %



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