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
formula :C10 H16 O
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Firmenich :MYROXYDE®
≥90%
Odor:  Warm complex herbal odour reminiscent of lavender, opoponax, clary sage, absinth and tarragon.
Moellhausen :myroxide
90% min. nature identical kosher
Odor:  fresh, floral, citrusy, notes of bergamot and muguet

organoleptics :
odor type :herbal
odor strength :medium
odor description :¹
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 :
 
recommendation for ocimene oxirane usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for ocimene oxirane 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
synonyms :
2,2-dimethyl-3-(3-methyl-2,4-pentadienyl) oxirane
2,2-dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane
 dimethyl-3-methyl pentadienyl oxirane
 myroxyde

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoxymethyl isolongifolene
 balsam ketone
1-benzoyl acetone
 bergamot mint oil
 bisabolene
 bois de rose oil
 champaca flower oil
 clary propyl acetate
 clary sage resin
 coranol
 costmary oil
 cubeb oil
 dihydrolinalool
 dihydrorose oxide
3,6-dimethyl-3-octanol
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 formoxymethyl isolongifolene
 herbal carene
(Z)-3-hexen-1-yl salicylate
 ho leaf oil
 ho wood oil
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 lovage root absolute
 lovage root oil
 octyl cinnamate
 octyl phenyl acetate
 phenoxyethyl propionate
 sclarene
 tetrahydrolinalool

(odor and/or flavor) used in :
 amber
 citrus
 clary sage
 fern fougere
 green
 herbal
 lavender
 metallic
 oakmoss mousse de chene
 opoponax
 orchid
 spice
 tarragon
 woody

natural occurrence in :
not found in nature



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