dextro-linalool
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IUPAC Name - (3S)-3,7-dimethylocta-1,6-dien-3-ol
InChI - InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1
InChIKey - CDOSHBSSFJOMGT-SNVBAGLBBB
SMILES - CC(=CCC[C@@](C)(C=C)O)C
CAS Number : 126-90-9
(EINECS) Number :204-810-7
Molar Refractivity :49.50 ± 0.3 cm3 (est)
Parachor :414.2 ± 4.0 cm3 (est)
Index of Refraction :1.463 ± 0.02 (est)
Surface Tension :28.2 ± 3.0 dyne/cm (est)
Density :0.858 ± 0.06 g/cm3 (est)
Polarizability :19.62 ± 0.5 10-24cm3 (est)
XlogP : 2.50 (est)
Molecular Weight : 154.2493200 (IUPAC) (PT) (112)
Formula :C10 H18 O
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents
Suppliers :
Payand Betrand :dextro-Linalool
Russia, Natural Isolated Constituent
Organoleptics :
Odor Strength :medium
Odor Description:
at 100.00 %.  		floral
Properties :
Appearence :colorless clear liquid
Assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
Boiling Point : 187.00 to 199.00 °C. @ 760.00 mm Hg
Vapor Pressure :0.00500 mm/Hg @ 25.00 °C.
Flash Point : 184.00  °F.  TCC  ( 84.44 °C. )
logP (o/w) : 3.28
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 :
Category :flavor and fragrance agents
 
IFRA Critical Effect :Sensitization
IFRA Other Specification :< 20 mmoles / liter peroxides
IFRA fragrance material specification :
 Linalool and natural products known to be rich in linalool, such as bois de rose, coriander or ho wood oil, should only be used when the level of peroxides is kept to the lowest practical level. It is recommended to add antioxidants at the time of production of the raw material. The addition of 0.1% BHT or alpha-tocopherol for example has shown great efficiency. The maximum peroxide level for products in use should be 20 mmol/l.
maximum skin levels for fine fragrances :
  0.1300 %   and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).  (IFRA, 2004)
Recommendation for dextro-linalool fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics :
  1.8000 %
Dermal Systemic Exposure in Cosmetic Products :
 0.0459 mg/kg/day  (IFRA, 2004)
Safety References :
EPI System :view
IFRA :view standard
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :1
 
 
 
 
(3S)-3,7-dimethylocta-1,6-dien-3-ol
(EINECS) Number :204-810-7
Chemidplus :000126909
EPA Substance Registry Services :126-90-9
References :
Leffingwell :chirality
 
(3S)-3,7-dimethylocta-1,6-dien-3-ol
NIST Chemistry WebBook :126909
Pubchem :209289
Cosmetics :
Cosmetic Uses : perfuming agents
Other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Synonyms :
 coriandrol
(3S)-3,7-dimethyl-1,6-octadien-3-ol
(3S)-3,7-dimethylocta-1,6-dien-3-ol
dextro-linalool
laevo-allo-ocimenol
Soluble in :
 alcohol
 water, 683.7 mg/L @ 25C (est)
Insoluble in :
 water
Potential Uses :
 floralFR
Natural Occurrence in :    note
 coriander S


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