isodihydrolavandulyl acetate
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :[(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
InChI :InChI=1/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h7,9-10H,6,8H2,1-5H3/b12-7+
InChIKey :AOWLXZIJUIFJPM-KPKJPENVBI
SMILES :CC(C)C\C=C(/COC(=O)C)\C(C)C
cas number :40853-56-3
(EINECS) number :255-114-5
beilstein number :1770843
molar refractivity :59.23 ± 0.3 cm3
parachor :512.4 ± 4.0 cm3
index of refraction :1.441 ± 0.02
surface tension :27.2 ± 3.0 dyne/cm
density :0.884 ± 0.06 g/cm3
polarizability :23.48 ± 0.5 10-24cm3
XlogP : 3.70
molecular weight : 198.3018800
formula :C12 H22 O2
 
 
IUPAC name :[(E)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
InChI :InChI=1/C12H22O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h7,9-10H,6,8H2,1-5H3/b12-7-
InChIKey :AOWLXZIJUIFJPM-GHXNOFRVBP
cas number :40853-56-3  (E)
molar refractivity :59.23 ± 0.3 cm3
parachor :512.4 ± 4.0 cm3
index of refraction :1.441 ± 0.02
surface tension :27.2 ± 3.0 dyne/cm
density :0.884 ± 0.06 g/cm3
polarizability :23.48 ± 0.5 10-24cm3
XlogP : 3.70
molecular weight : 198.3018800
formula :C12 H22 O2
 
 
export tariff code :2915.39.9050
fda reg :unspecified
organoleptics :
odor type :herbal
odor strength :medium
odor description :¹
at 100.00 %.  		fresh herbal mint woody
odor sample from :Fritzsche Dodge & Olcott, Inc.
substantivity :16  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 90.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.84600 @ 25.00 °C.
boiling point : 244.00 to 245.00 °C. @ 760.00 mm Hg
flash point : 185.00  °F.  TCC  ( 85.00 °C. )
logP (o/w) : 4.36
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for isodihydrolavandulyl acetate usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for isodihydrolavandulyl acetate usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
WGK Germany :2
 
 
 
 [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
(EINECS) number :255-114-5
chemidplus :040853563
EPA Substance Registry Services :40853-56-3
 [(E)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
references :
 [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
pubchem :179858
 [(E)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1988)¹
CosIng :cosmetic data
synonyms :
 acetic acid 2-isopropyl-5-methyl-2-hexen-1-yl ester
5-methyl-2-(1-methyl ethyl)-2-hexen-1-yl acetate
((Z)-5-methyl-2-propan-2-yl hex-2-enyl) acetate
[(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
isopropyl methyl hexenyl acetate
2-isopropyl-5-methyl hex-2-enyl acetate
2-isopropyl-5-methyl-2-hexene-1-yl acetate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 balsam
 herbal
 lavandin
 lavender
 woody
natural occurrence in :
not found in nature



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