(+)-alpha-terpineol
 
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IUPAC name :2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-ol
InChI :InChI=1/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1
InChIKey :WUOACPNHFRMFPN-VIFPVBQEBF
SMILES :CC1=CC[C@@H](CC1)C(C)(C)O
(EINECS) number :232-081-5
cas number :7785-53-7
molar refractivity :47.07 ± 0.3 cm3
parachor :396.0 ± 6.0 cm3
index of refraction :1.482 ± 0.02
surface tension :33.2 ± 3.0 dyne/cm
density :0.934 ± 0.06 g/cm3
polarizability :18.66 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 154.2493200
formula :C10 H18 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
lilac floral

properties :
appearence :colorless to pale yellow clear viscous liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.94000 @ 20.00 °C.
refractive index :1.48200 @ 20.00 °C.
melting point : 30.00 to 31.00 °C. @ 760.00 mm Hg
logp : 2.79
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.

safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 194.00  °F.  TCC  ( 90.00 °C. )
recommendation for (+)-alpha-terpineol usage levels up to :
  30.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-ol
(EINECS) number :232-081-5
chemidplus :7785-53-7
EPA Substance Registry Services :7785-53-7
NLM Chemical Carcinogenesis Research Information System :7785-53-7
NLM Developmental and Reproductive Toxicity :7785-53-7
NLM Env. Mutagen Info. Center :7785-53-7
NLM GENetic TOXicology :7785-53-7

references :
 2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-ol
pubchem :36886025

other :
synonyms :
(R)-para-menth-1-en-8-ol
(R)-2-(4-methyl-3-cyclohexenyl) isopropanol
(+)-alpha-terpineol
(R)-alpha,alpha,4-trimethyl cyclohex-3-ene-1-methanol
(theta)-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol
dextro-trimethyl-3-cyclohexene-1-methanol

soluble in :
 alcohol
 water, 670 mg/L @ 25C

insoluble in :
 water

natural occurrence in :
data pagetea tree oil australia @ 2.03%



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Html Last modified 11/29/2008