artemisyl alcohol
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Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :3,3,6-trimethylhepta-1,5-dien-4-ol
InChI :InChI=1/C10H18O/c1-6-10(4,5)9(11)7-8(2)3/h6-7,9,11H,1H2,2-5H3
InChIKey :WPPVSYVQAKQNJK-UHFFFAOYAX
SMILES :CC(=CC(C(C)(C)C=C)O)C
cas number :29887-38-5
molar refractivity :49.46 ± 0.3 cm3
parachor :411.6 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :27.3 ± 3.0 dyne/cm
density :0.856 ± 0.06 g/cm3
polarizability :19.60 ± 0.5 10-24cm3
XlogP : 2.30
XlogP3-AA : 3.10
molecular weight : 154.2493200 (IUPAC)
formula :C10 H18 O
BioActivity Analysis :466894
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :artemisiaalcohol,3,3,6-trimethyl-1,5-heptadien-4-ol
orders in chinese only.

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 100.00 %.  
herbal

properties :
appearence :colorless to pale yellow clear oily liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 214.00 to 215.00 °C. @ 760.00 mm Hg
flash point : 173.00  °F.  TCC  ( 78.33 °C. )
logP (o/w) : 2.91

safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :natural substances and extractives
 
recommendation for artemisyl alcohol fragrance usage levels up to :
 not for fragrance use.
recommendation for artemisyl alcohol flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
 
 
 
 
3,3,6-trimethylhepta-1,5-dien-4-ol
chemidplus :029887385
EPA Substance Registry Services :29887-38-5
dtp/nci :367110

references :
 
3,3,6-trimethylhepta-1,5-dien-4-ol
NIST Chemistry WebBook :2071369229
pubchem :3886550
Flavornet :29887-38-5

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 artemisia alcohol
S-artemisia alcohol
(S)-3,3,6-trimethyl-1,5-heptadien-4-ol
3,3,6-trimethylhepta-1,5-dien-4-ol

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :    note
data pagearmoise oil morocco @ 0.1% S
data pagebombycilaena erecta oil greece @ 9.10% S
data pagechamomile flower oil germany @ 0.39% S
data pagechamomile oil morocco @ 2.30% S
data pagelayana oil wild zimbabwe @ trace-0.30% S
data pageotanthus maritimus (l.) hoffmans oil greece @ 12.60% S
data pagetansy oil canada @ 1.60% S
data pagewormwood flower oil annus america @ 2.10% S
data pagewormwood leaf oil annus america @ 0.72-1.90% S
data pagewormwood oil annus france @ 0.00-11.05% S
data pagewormwood oil annus vietnam @ 2.67% S
data pagewormwood oil italy @ trace% S
data pageyarrow oil greece @ 0.50% S

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