para-menth-1-ene-9-ol
 
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IUPAC name :2-(4-methyl-1-cyclohex-3-enyl)propan-1-ol
InChI :InChI=1/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3
InChIKey :ZTYHGIAOVUPAAH-UHFFFAOYAL
SMILES :CC1=CCC(CC1)C(C)CO
(EINECS) number :242-366-6
cas number :18479-68-0
fema number :4508
molar refractivity :47.37 ± 0.3 cm3
parachor :397.7 ± 6.0 cm3
index of refraction :1.478 ± 0.02
surface tension :31.9 ± 3.0 dyne/cm
density :0.921 ± 0.06 g/cm3
polarizability :18.78 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 154.2493200
formula :C10 H18 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-Aldrich :(+)-p-Menth-1-en-9-ol,mixture of isomers
(R,R)-isomer ~67%, (R,S)-isomer ~33%, 97%

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
fruity herbal

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.94100 @ 25.00 °C.
refractive index :1.48600 @ 20.00 °C.
boiling point : 115.00 to 116.00 °C. @ 10.00 mm Hg
boiling point : 222.00 to 224.00 °C. @ 760.00 mm Hg
logp : 2.89

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 218.00  °F.  TCC  ( 103.33 °C. )
recommendation for para-menth-1-ene-9-ol usage levels up to :
  3.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 2-(4-methyl-1-cyclohex-3-enyl)propan-1-ol
(EINECS) number :242-366-6
chemidplus :018479680
EPA Substance Registry Services :18479-68-0
NLM Chemical Carcinogenesis Research Information System :18479-68-0
NLM Developmental and Reproductive Toxicity :18479-68-0
NLM Env. Mutagen Info. Center :18479-68-0
NLM GENetic TOXicology :18479-68-0

references :
 2-(4-methyl-1-cyclohex-3-enyl)propan-1-ol
pubchem :663600
NIST Chemistry WebBook :1808378205

other :
synonyms :
beta,4-dimethyl cyclohex-3-ene-1-ethanol
para-menth-1-ene-9-ol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
alpha-amyl cinnamaldehyde
 amyl furoate
isoamyl heptanoate
para-anisyl propionate
 benzyl acetone
 benzyl methyl tiglate
 butyl heptanoate
isobutyl heptanoate
 butyl levulinate
isobutyl methyl ketone
 butyl tiglate
 cassis methanol
 chamomile propionate
 cuminyl acetate
 diethyl malate
 dimethyl benzyl carbinyl butyrate
 ethyl 4-pentenoate
 geranyl tiglate
(E)-2-hexenoic acid
 hexyl tiglate
 jasmin absolute
 linalyl octanoate
para-menth-1-ene-9-ol
 menthadienyl formate
1-para-menthen-9-yl acetate
 menthone-8-thioacetate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
2-methyl butyl isovalerate
 methyl hexyl ether
 myrtenyl acetate
 nonan-3-yl acetate
3-nonanone
3-octanon-1-ol
 orris capronate
beta-sesquiphellandrene
 rose undecene
 rue flower oil colombia
 rue oil
 rue oil cuba
 spathulenol
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tagete oil turkey
 tagete oil zambia
 tricyclodecenyl propionate
 viridiflorol

natural occurrence in :
bilberry
tangerine oil



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Html Last modified 11/29/2008