isodihydrolavandulol
 
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IUPAC name :(E)-5-methyl-2-propan-2-ylhex-2-en-1-ol
InChI :InChI=1/C10H20O/c1-8(2)5-6-10(7-11)9(3)4/h6,8-9,11H,5,7H2,1-4H3/b10-6-
InChIKey :VUGJPGPMYGKRPW-POHAHGREBS
SMILES :CC(C)C\C=C(\CO)/C(C)C
(EINECS) number :255-111-9
cas number :40853-53-0
beilstein number :1747799
molar refractivity :49.73 ± 0.3 cm3
parachor :424.8 ± 4.0 cm3
index of refraction :1.449 ± 0.02
surface tension :27.6 ± 3.0 dyne/cm
density :0.843 ± 0.06 g/cm3
polarizability :19.71 ± 0.5 10-24cm3
xlogp : 3.00
molecular weight : 156.2652000
formula :C10 H20 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :herbal
odor strength :medium
odor description :
at 100.00 %.  
fresh herbal mint woody
substantivity :8  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 200.00 to 201.00 °C. @ 760.00 mm Hg
logp : 3.53

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 178.00  °F.  TCC  ( 81.11 °C. )
recommendation for isodihydrolavandulol usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for isodihydrolavandulol usage levels up to :
 not for flavor use.

safety references :
EPI System :view
 
 
 (E)-5-methyl-2-propan-2-ylhex-2-en-1-ol
(EINECS) number :255-111-9
chemidplus :040853530
EPA Substance Registry Services :40853-53-0
NLM Chemical Carcinogenesis Research Information System :40853-53-0
NLM Developmental and Reproductive Toxicity :40853-53-0
NLM Env. Mutagen Info. Center :40853-53-0
NLM GENetic TOXicology :40853-53-0

references :
 (E)-5-methyl-2-propan-2-ylhex-2-en-1-ol
pubchem :179857

other :
synonyms :
isodihydrolavandulol
5-methyl-2-(1-methyl ethyl)-2-hexen-1-ol
(E)-5-methyl-2-propan-2-yl hex-2-en-1-ol
isopropyl methyl hexenol
2-isopropyl-5-methyl hex-2-en-1-ol
2-isopropyl-5-methyl-2-hexen-1-ol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
isoamyl salicylate
 anise indene
3-benzyl-4-heptanone
isoborneol
 bornyl 2-methyl butyrate
isobornyl acetate
 bornyl butyrate
isobornyl formate
beta-bourbonene
para-tert-butyl cyclohexanone
delta-cadinene
gamma-cadinene
alpha-cadinol
 camphene
 cinnamon acrolein
 cistus oil
 coriander oleoresin
 cornmint oil
 cornmint oil india
 currant bud absolute black
isocyclocitral
2-cyclohexyl cyclohexanone
8,9-dehydrotheaspirone
isodihydrolavandulyl acetate
 herbal ethanone
 herbal undecanol
 herbal undecanone
 hyssop oil
 immortelle flower oil
(Z)-jasmone
 karo karounde absolute
 lavender oil france
 lavender oil greece
 marine formate
 menthadienyl formate
para-menthane-3,8-diol
homomenthyl acetate
laevo-menthyl acetate
 methyl hexyl ketone
para-methyl hydratropaldehyde
1-methyl pyrrole
gamma-muurolene
 nonisyl propionate
 parsley leaf oil
 patchouli indene
 pennyroyal oil
 petitgrain bigarade oil
(Z)-2-pinanol
 piperitenone oxide
 piperitone
 polylimonene
 prenyl salicylate
4-isopropyl-2-cyclohexenone
 rosemary absolute
 spruce oil
 tansy oil
 tea leaf absolute
 thyme oil wild or creeping
 tricyclodecenyl propionate
 woody ketone

(odor and/or flavor) used in :
 balsam
 herbal
 lavender
 spice

natural occurrence in :
not found in nature



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