2-undecanol
 
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IUPAC name :undecan-2-ol
InChI :InChI=1/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
InChIKey :XMUJIPOFTAHSOK-UHFFFAOYAR
SMILES :CCCCCCCCCC(C)O
(EINECS) number :216-722-6
cas number :1653-30-1
beilstein number :1719795
fema number :3246
coe number :11826
jecfa number :297
fl. number :02.086
molar refractivity :54.50 ± 0.3 cm3
parachor :483.8 ± 4.0 cm3
index of refraction :1.437 ± 0.02
surface tension :29.2 ± 3.0 dyne/cm
density :0.828 ± 0.06 g/cm3
polarizability :21.60 ± 0.5 10-24cm3
xlogp : 4.70
molecular weight : 172.3076600
formula :C11 H24 O
 
 
export tariff code :2905.19.0060
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :2-Undecanol
 97%
 
 

organoleptics :
odor type :fruity
odor strength :medium
odor description¹ :
at 100.00 %.  
fresh waxy clean cloth cotton sarsaparilla
substantivity :82 hour(s) at 100.00 %

properties :
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82400 - 0.82900 @ 25.00 °C.
pounds per gallon - calc. : 6.857 to 6.898
refractive index :1.43100 - 1.43800 @ 20.00 °C.
melting point : -11.00 - -9.00 °C. @ 760.00 mm Hg
melting point : 2.00 - 3.00 °C. @ 28.00 mm Hg
boiling point : 232.00 - 233.00 °C. @ 760.00 mm Hg
boiling point : 130.00 - 131.00 °C. @ 28.00 mm Hg
logp : 4.21

safety :
most important hazard(s) : Xi N - Irritant, Dangerous for the environment.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.24 (μg/capita/day)
  
flash point ( Deg. F. ) : 206.00  °F.  TCC  ( 96.67 °C. )
  
recommendation for 2-undecanol usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for 2-undecanol usage levels up to :
  20.0000 ppm in the flavor.
  

safety links :
(EINECS) number :216-722-6
chemidplus :001653301
epa-srs :1653-30-1
  

other :
 

references :
jecfa number :297
fl. number :02.086
pubchem :158767
NIST Chemistry WebBook :1479221459
  
reference : Luebke, William tgsc, (2007)¹
synonyms :
2-hendecanol
 methyl nonyl carbinol
 undecan-2-ol
2-undecanol
 undecylic alcohol
sec-undecylic alcohol
soluble in :
 alcohol
 ethyl ether
 water, 197 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
isoamyl salicylate
 amyris wood oil
 armoise oil
 blood orange oil
 caraway seed oil
 cedarwood oils
 citronella oil
 coriander heptenol
 coriander seed oil
 costus valerolactone
 cyclamen aldehyde
 cyclododecyl formate
 decanal
(E)-2-decen-1-al
2-decen-1-ol
9-decen-1-ol
 decyl acetate
 decyl methyl ether
 dihydrojasmone
 dihydromyrcenol
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 dimethyl octanyl acetate
 ethyl laurate
 ethyl maltol
 ethylene dodecanoate
isoeugenyl acetate
 floral pyranol
 geranyl oxyacetaldehyde
(E)-geranyl oxyacetaldehyde
 guaiacwood oil
 heliotropyl acetone
 hyacinth ether
 lauryl acetate
 lavandin oil
 lemongrass oil
laevo-linalool
 maltol
 maltyl isobutyrate
 methyl cedryl ketone
 musks
 nerolidol
 nonanol
 nonyl acetate
 nutmeg oil
 ocean propanal
 orange nitrile
 orange oil
 patchouli ethanone
3-phenyl propyl alcohol
 rhodinol
 rose butanoate
 santall
 strawberry furanone
 toffee furanone
 undecanol
10-undecen-1-yl acetate
 undecyl acetate
 verymoss
 watermelon ketone
(odor and/or flavor) used in :
 acacia
 aldehydic
 citrus
 fixer
 fruit
 rue
natural occurrence in :
coconut d-form
data pagecoriander leaf oil @ 0.03-0.21%
data pageglycosmis pentaphylla (cor.) bark oil india @ 2.30%
data pagekachur oil @ 0.20%
litsea odorifera l-form
rue oil l-form
rue plant
data pagesugandha kokila berry oil @ 0.01%



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