ocimene oxirane
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IUPAC name :2,2-dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane
InChI :InChI=1/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3
InChIKey :LIMXJCIGROLRED-UHFFFAOYAG
SMILES :CC(=CCC1C(O1)(C)C)C=C
cas number :69103-20-4
(EINECS) number :273-870-4
molar refractivity :47.63 ± 0.3 cm3
parachor :403.4 ± 4.0 cm3
index of refraction :1.457 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.870 ± 0.06 g/cm3
polarizability :18.88 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 152.2334400 (IUPAC)
formula :C10 H16 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Firmenich :Myroxyde®
≥90%
Odor:  A complex aromatic, herbal odor reminiscent of lavender, opoponax, clary sage and tarragon
When used at 0.1 – 2.0%, MYROXYDE® can give tremendous lift and volume to a fragrance. It is not only effective in fougere, lavender, oakmoss and spicy directions, but produces a wonderful freshness to lemon and citrus perfumes.
Moellhausen :myroxide
90% min. nature identical kosher
Odor:  fresh, floral, citrusy, notes of bergamot and muguet
organoleptics :
odor type :herbal
odor strength :medium
odor description¹ :
at 100.00 %.  		sweet metallic fresh herbal lavender opoponax clary pear
odor sample from :Firmenich & Company Inc.
substantivity :24  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88000 to 0.89000 @ 20.00 °C.
pounds per gallon - calc. : 7.331 to 7.414
refractive index :1.47200 to 1.47800 @ 20.00 °C.
boiling point : 188.00 to 189.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 158.00  °F.  TCC  ( 70.00 °C. )
logP (o/w) : 2.59
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) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for ocimene oxirane fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for ocimene oxirane flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
2,2-dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane
(EINECS) number :273-870-4
chemidplus :069103204
EPA Substance Registry Services :69103-20-4
references :
 
2,2-dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane
NIST Chemistry WebBook :69103204
pubchem :671765
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 dimethyl-3-methyl pentadienyl oxirane
2,2-dimethyl-3-(3-methyl-2,4-pentadienyl) oxirane
2,2-dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane
 myroxyde
 ocimene oxirane
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetoxymethyl isolongifoleneFR
 balsam ketoneFR
1-benzoyl acetoneFL/FR
 bergamot mint oilFR
 bisaboleneFL/FR
 bois de rose oilFL/FR
 champaca flower oilFR
 clary propyl acetateFR
 clary sage resinFR
 coranolFR
 costmary oilFR
 cubeb oilFL/FR
 dihydrolinaloolFL/FR
 dihydrorose oxideFR
3,6-dimethyl-3-octanolFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 formoxymethyl isolongifoleneFR
 herbal careneFR
(Z)-3-hexen-1-yl salicylateFL/FR
 ho leaf oilFR
 ho wood oilFR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 lovage root absoluteFL
 lovage root oilFL/FR
 octyl cinnamateFR
 octyl phenyl acetateFL/FR
 phenoxyethyl propionateFL/FR
 sclarene 
 tetrahydrolinaloolFL/FR
potential uses :
 amber
 citrus
 clary sage
 fern fougere
 green
 herbal
 lavender
 metallic
 oakmoss mousse de chene
 opoponax
 orchid
 spice
 tarragon
 woody
natural occurrence in :    note
 angelica silvestris S
 dianthus glacialis S
 hedychium coronarium S
 narcissus jonquilla S
 nicotiana alata S
 nicotiana suaveolens S
 plumeria alba S
 ranunculus acris S

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