2-pentanol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :pentan-2-ol
InChI :InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
InChIKey :JYVLIDXNZAXMDK-UHFFFAOYAY
SMILES :CCCC(C)O
(EINECS) number :227-907-6
eu annex :603-006-00-7
cas number :6032-29-7
beilstein number :1718819
fema number :3316
coe number :11696
jecfa number :280
fl. number :02.088
molar refractivity :26.70 ± 0.3 cm3
parachor :245.1 ± 4.0 cm3
index of refraction :1.405 ± 0.02
surface tension :25.6 ± 3.0 dyne/cm
density :0.809 ± 0.06 g/cm3
polarizability :10.58 ± 0.5 10-24cm3
xlogp : 1.30
molecular weight : 88.1481800
formula :C5 H12 O
 
 
IUPAC name :(2R)-pentan-2-ol
InChI :InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1
InChIKey :JYVLIDXNZAXMDK-RXMQYKEDBW
SMILES :CCC[C@@H](C)O
eu annex :603-006-00-7
cas number :31087-44-2
beilstein number :4652311
molar refractivity :26.70 ± 0.3 cm3
parachor :245.1 ± 4.0 cm3
index of refraction :1.405 ± 0.02
surface tension :25.6 ± 3.0 dyne/cm
density :0.809 ± 0.06 g/cm3
polarizability :10.58 ± 0.5 10-24cm3
xlogp : 1.30
molecular weight : 88.1481800
formula :C5 H12 O
 
 
IUPAC name :(2S)-pentan-2-ol
InChI :InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKey :JYVLIDXNZAXMDK-YFKPBYRVBE
SMILES :CCC[C@H](C)O
eu annex :603-006-00-7
cas number :26184-62-3
molar refractivity :26.70 ± 0.3 cm3
parachor :245.1 ± 4.0 cm3
index of refraction :1.405 ± 0.02
surface tension :25.6 ± 3.0 dyne/cm
density :0.809 ± 0.06 g/cm3
polarizability :10.58 ± 0.5 10-24cm3
xlogp : 1.30
molecular weight : 88.1481800
formula :C5 H12 O
 
 
export tariff code :2905.15.0000
fda reg :unspecified
 
Suppliers :
Sigma-Aldrich-SAFC :(±)-2-Pentanol
 ≥98%, Kosher
 
 
organoleptics :
odor type :fermented
odor strength :medium
odor description :
at 100.00 %.  		mild green fusel oil
properties :
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.80200 - 0.80800 @ 25.00 °C.
pounds per gallon - calc. : 6.673 to 6.723
refractive index :1.40300 - 1.40900 @ 20.00 °C.
boiling point : 118.00 - 119.00 °C. @ 760.00 mm Hg
boiling point : 62.00 °C. @ 60.00 mm Hg
logp : 1.22
safety :
Oral Toxicity(LD50) : Oral-Rabbit    2820.00  mg/kg    (Munch, 1972)
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :5.40 (μg/capita/day)
  
flash point ( Deg. F. ) : 93.00  °F.  TCC  ( 33.89 °C. )
  
recommendation for 2-pentanol usage levels up to :
 not for fragrance use.
  
recommendation for 2-pentanol usage levels up to :
  2.0000 ppm in the flavor.
  
safety links :
(EINECS) number :227-907-6
rtecs :SA4900000 for 6032-29-7
chemidplus :006032297
epa-srs :6032-29-7
  
chemidplus :031087442
epa-srs :31087-44-2
  
chemidplus :026184623
epa-srs :26184-62-3
  
other :
 
references :
jecfa number :280
fl. number :02.088
pubchem :165050
NIST Chemistry WebBook :791536644
  
pubchem :718751
NIST Chemistry WebBook :1828458617
  
pubchem :718329
NIST Chemistry WebBook :3843990721
  
synonyms :
sec-amyl alcohol
alpha-methyl butanol
 methyl N-propyl carbinol
 methyl propyl carbinol
 pentan-2-ol
2-pentanol
 propyl methyl carbinol
soluble in :
 alcohol
 water, 44600 mg/L @ 25C
(odor and/or flavor) blends with :
 bark carbaldehyde
 coriander heptenol
 gardenia pentyl acetate
(E,E)-2,4-heptadien-1-al
delta-heptalactone
1-hepten-3-ol
 heptyl octanoate
(Z)-3-hexen-1-yl pyruvate
 hexyl tiglate
 methyl epi-jasmonate
 methyl jasmonate
2-methyl-2-butenol
(E)-6-methyl-3-hepten-2-one
 nerolidyl isobutyrate
1-octen-3-ol
 octyl butyrate
 privet dioxane
isopropyl 2-methyl butyrate
 sorbyl acetate
 valencene
 violet decenol
 violet leaf absolute
(odor and/or flavor) used in :
 green
natural occurrence in :
data pagemikan peel oil @ 0.01%
data pageulva rigida oil greece @ 1.00%



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