(Z)-beta-ocimene
 
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IUPAC name :(3Z)-3,7-dimethylocta-1,3,6-triene
InChI :InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8-
InChIKey :IHPKGUQCSIINRJ-NTMALXAHBW
SMILES :CC(=CC\C=C(\C)/C=C)C
(EINECS) number :222-081-3
cas number :3338-55-4
fema number :3539
coe number :11015
fl. number :01.064
molar refractivity :47.90 ± 0.3 cm3
parachor :385.7 ± 4.0 cm3
index of refraction :1.458 ± 0.02
surface tension :23.3 ± 3.0 dyne/cm
density :0.776 ± 0.06 g/cm3
polarizability :18.99 ± 0.5 10-24cm3
xlogp : 4.30
molecular weight : 136.2340400
formula :C10 H16
 
 
fda reg :unspecified h. number :2901.29.0000
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  		warm floral herb flower sweet
substantivity :8  Hour(s)
properties : 
appearence :colorless to pale yellow clear liquid
assay : 73.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.80600 - 0.81000 @ 20.00 °C.
pounds per gallon - calc. : 6.715 to 6.748
logp : 4.70
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 135.00  °F.  TCC  ( 57.22 °C. )
  
recommendation for (Z)-beta-ocimene usage levels up to :
  20.0000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :222-081-3
chemidplus :003338554
epa-srs :3338-55-4
  
other : 
 
references : 
pubchem :161742
NIST Chemistry WebBook :895027364
  
synonyms :
(Z)-3,7-dimethyl octa-1,3,6,-triene
(Z)-beta-3,7-dimethyl octa-1,3,6,-triene
cis-3,7-dimethyl octa-1,3,6,-triene
cis-3,7-dimethyl-1,3,6-octatriene
(Z)-beta-ocimene
cis-beta-ocimene
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 bergamot
 citrus
 fern fougere
 gardenia
 herbal
 lavandin
 lavender
 neroli
 spice
natural occurrence in :
data pageangelica root oil @ 0.05%
data pageangelica seed oil @ 0.30%
data pageartemisia campestris spp. glutinosa flower oil italy @ 2.40%
data pageartemisia variabilis flower oil italy @ 5.50%
data pagebaccharis coridifolia oil argentina @ 0.60%
data pagebasil flower oil sweet @ 2.60%
data pagebasil leaf oil sweet (ocimum basilicum) @ 1.33%
data pagebasil oil sweet poland @ 0.02%
data pagebay leaf oil @ 0.08-0.10%
data pagebay leaf oil anise @ 0.1%
data pagebergamot mint oil @ 0.2-0.5%
data pagebergamot oil @ 0.011-0.068%
data pagebergamot oil turkey @ 0.02%
data pagebetel leaf oil @ 0.40%
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.007%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.005%
data pageblood orange oil italy @ 0.008%
data pagebois de rose leaf oil brazil @ trace-0.20%
data pagebois de rose oil brazil @ 0.03-0.20%
data pageboronia absolute @ 0.02%
data pagecajuput oil vietnam @ trace%
data pagecalamintha nepeta (l.) savi subsp. glandulosa oil greece @ trace%
data pagecalamus root oil mongolia @ 0.60%
data pagecananga fruit oil @ 2.0%
data pagecarrot leaf oil @ 0.31%
data pagecarrot seed oil spain @ trace%
data pagecascarilla bark oil @ 0.01%
data pagecassis bud oil @ 0.00-5.63%
data pagecelery leaf oil @ 14.10%
data pagechamomile flower oil germany @ 0.08%
data pagechampaca concrete @ 0.02%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 0.20%
data pagecitronella oil ceylon @ 1.92%
data pagecitronella oil java @ 0.37%
data pagecitronella oil zimbabwe @ 0.35%
data pageclary sage oil greece @ 0.10%
data pageclary sage oil spain @ 0.58%
data pagecrithmum maritimum l. oil turkey @ 0.30%
data pagecroton cajucara benth. leaf oil brazil @ 0.40%
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.20%
data pagecubeb oil @ 0.81%
data pagecurry fruit oil india @ 0.20%
data pagecurry leaf oil india @ 0.60%
data pagecypress oil @ trace%
data pagedill weed oil reunion @ trace%
data pageeschweilera coriacea (a. p. dc.) mori flower oil brazil @ 1.40%
data pageestragon oil @ 3.2%
data pageeucalyptus delegatensis r. baker leaf oil ethiopia @ 0.30%
data pageeucalyptus globulus oil rwanda @ 0.02%
data pageeucalyptus globulus oil zambia @ trace%
data pageeucalyptus nitens (deane et maiden) maiden leaf oil ethiopia @ 0.70%
data pageeucalyptus urophylla s.t. blake leaf oil ethiopia @ 6.80%
data pagefennel flower oil bitter lithuania @ 0.77%
data pagefennel seed oil bitter lithuania @ 0.40%
data pagefennel seed oil sweet @ trace%
data pagefrankincense oil somalia @ 0.20%
gardenia
data pagegeranium leaf oil india @ 0.08%
data pagegeranium oil rwanda @ 0.05%
data pagegrapefruit oil c.p. @ trace%
data pagegrapefruit oil c.p. @ trace%
data pagegrapefruit oil c.p. italy @ trace%
data pagegrapefruit oil california @ 0.01%
data pagegrapefruit oil CO2 extract @ 0.09%
data pageguava fruit oil reunion @ 2.20%
data pageguava leaf oil cuba @ trace%
data pagehelichrysum italicum oil america @ 0.05%
data pagehyptis suaveolens (l.) poit. oil mali @ trace-0.10%
data pagelallemantia peltata (l.) fisch. et mey. oil turkey @ trace%
data pagelavandin oil abrialis @ 2.63%
data pagelavandin oil grosso @ 1.05%
data pagelavender oil @ 1.16%
data pagelavender oil CO2 extract france @ 0.58%
data pagelavender oil france @ 0.86%
data pagelavender oil greece @ 3.11%
data pagelavender oil spike france @ 0.47%
data pagelayana oil kenya @ trace%
data pagelemon oil expressed italy @ 0.10%
data pagelemon verbena oil turkey @ 0.11%
data pagelemongrass oil @ 0.07%
data pagelemongrass oil @ 0.10%
data pagelemongrass oil yunnan @ 0.61%
data pagelime oil CO2 extract mexico @ 0.20%
data pagelime oil distilled mexico @ 0.20%
data pagelime oil distilled peru @ 0.20%
data pagelime oil expressed florida @ trace%
data pagelovage flower oil @ 0.60%
data pagelovage leaf oil @ 1.20%
data pagelovage root oil @ 0.22%
data pagelovage seed oil @ 1.70%
data pagemandarin oil avana @ trace%
data pagemandarin oil italy @ 0.01%
data pagemandarin oil uruguay @ 0.01-0.02%
data pagemanuka var. eximium oil australia @ 0.10%
data pagemarjoram oil spain @ trace%
data pagemarjoram oil sweet cuba @ 1.84%
data pagemarjoram oil sweet iran @ 4.10%
data pagemarjoram oil sweet turkey @ 0.13-0.17%
data pagemarjoram pot oil turkey @ 0.00-0.07%
data pagemastic fruit oil @ 0.05%
data pagemastic leaf oil @ trace%
data pagemyrtle lemon scented leaf oil australia @ 0.40%
data pagenarcissus absolute @ 0.18%
data pagenepeta racemosa lam. oil iran @ 9.50%
data pageneroli oil CO2 extract @ 0.40%
data pageocimum gratissimum l. oil brazil @ 3.65%
data pageorange peel oil bitter italy @ trace%
data pageorange peel oil sweet c.p. blond italy @ 0.003%
data pageorange peel oil sweet c.p. blond italy @ 0.005%
data pageorange peel oil sweet c.p. blond italy @ 0.005%
data pageorange peel oil sweet c.p. blond italy @ 0.006%
data pageorange peel oil sweet c.p. blond italy @ 0.006%
data pagepalmarosa oil @ 0.30%
data pagepennyroyal oil cuba @ 0.11%
data pagepeppermint oil america @ 0.11%
data pagepeppermint oil america @ 0.41%
data pagepeppermint oil CO2 extract @ 0.20%
data pagepetitgrain mandarin oil @ 4.16%
data pagepetitgrain oil @ 0.10%
data pagephlomis fruticosa l. flower oil greece @ 0.30%
data pagepimento berry oil @ trace%
data pagepimento berry oil CO2 extract jamaica @ 0.9%
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 4.60%
data pageprangos uloptera dc. oil iran @ 1.80%
data pageprotium heptaphyllum (aubl.) march leaf oil brazil @ 2.30%
data pagerosemary oil corsica @ 1.20%
data pagerosemary oil france @ 0.00-0.05%
data pagerosemary oil morocco @ 0.00-0.27%
data pagesage oil albania @ 0.50%
data pagesage oil cuba @ 0.19%
data pagesage oil spain @ 0.0-2.2%
data pagesage oil spain @ 0.20%
data pageskimmia laureola oil @ 0.5%
data pagespearmint oil america @ 0.06-0.14%
data pagestachys recta l. oil serbia @ 0.20%
data pagesugandha kokila berry oil @ 0.05%
data pagetagete flower oil rwanda @ 31.80%
data pagetagete oil CO2 extract @ 19.33%
data pagetagete oil rwanda @ 37.08%
data pagetagete oil turkey @ 28.49%
data pagetagete oil zambia @ 23.60%
data pagethyme absolute @ trace%
data pagethyme oil spain @ 1.14%
data pagethyme oil wild or creeping finland @ 9.60%
data pagetrachyspermum roxburghianum benth. ex. kurz. seed oil india @ 0.10%
data pagewormwood oil cuba @ 0.06%



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