2,3-butane diol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :butane-2,3-diol
InChI :InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
InChIKey :OWBTYPJTUOEWEK-UHFFFAOYAE
SMILES :CC(C(C)O)O
(EINECS) number :208-173-6
cas number :513-85-9
beilstein number :0969165
coe number :10181
fl. number :02.133
molar refractivity :23.56 ± 0.3 cm3
parachor :219.5 ± 4.0 cm3
index of refraction :1.434 ± 0.02
surface tension :34.8 ± 3.0 dyne/cm
density :0.997 ± 0.06 g/cm3
polarizability :9.34 ± 0.5 10-24cm3
xlogp : -0.30
molecular weight : 90.1210000
formula :C4 H10 O2
 
 
IUPAC name :(2R,3R)-butane-2,3-diol
InChI :InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKey :OWBTYPJTUOEWEK-QWWZWVQMBZ
SMILES :C[C@H]([C@@H](C)O)O
cas number :24347-58-8
molar refractivity :23.56 ± 0.3 cm3
parachor :219.5 ± 4.0 cm3
index of refraction :1.434 ± 0.02
surface tension :34.8 ± 3.0 dyne/cm
density :0.997 ± 0.06 g/cm3
polarizability :9.34 ± 0.5 10-24cm3
xlogp : -0.30
molecular weight : 90.1210000
formula :C4 H10 O2
 
 
IUPAC name :(2R,3S)-butane-2,3-diol
InChI :InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+
InChIKey :OWBTYPJTUOEWEK-ZXZARUISBX
SMILES :C[C@H]([C@H](C)O)O
cas number :5341-95-7
molar refractivity :23.56 ± 0.3 cm3
parachor :219.5 ± 4.0 cm3
index of refraction :1.434 ± 0.02
surface tension :34.8 ± 3.0 dyne/cm
density :0.997 ± 0.06 g/cm3
polarizability :9.34 ± 0.5 10-24cm3
xlogp : -0.30
molecular weight : 90.1210000
formula :C4 H10 O2
 
 
IUPAC name :(2S,3S)-butane-2,3-diol
InChI :InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1
InChIKey :OWBTYPJTUOEWEK-IMJSIDKUBN
SMILES :C[C@@H]([C@H](C)O)O
cas number :19132-06-0
molar refractivity :23.56 ± 0.3 cm3
parachor :219.5 ± 4.0 cm3
index of refraction :1.434 ± 0.02
surface tension :34.8 ± 3.0 dyne/cm
density :0.997 ± 0.06 g/cm3
polarizability :9.34 ± 0.5 10-24cm3
xlogp : -0.30
molecular weight : 90.1210000
formula :C4 H10 O2
 
 
fda reg :unspecified h. number :2905.39.1000
 
organoleptics : 
odor description :
fruit onion
properties : 
appearence :colorless clear liquid
Food Chemicals Codex Listed :No
specific gravity :0.99500 @ 25.00 °C.
refractive index :1.43300 @ 20.00 °C.
melting point : 22.00 - 25.00 °C. @ 760.00 mm Hg
boiling point : 182.00 - 184.00 °C. @ 760.00 mm Hg
logp : -0.92
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 185.00  °F.  TCC  ( 85.00 °C. )
  
safety links : 
(EINECS) number :208-173-6
rtecs :EK0532000 for 513-85-9
chemidplus :000513859
epa-srs :513-85-9
  
chemidplus :024347588
epa-srs :24347-58-8
dtp/nci :15829
  
chemidplus :5341-95-7
epa-srs :5341-95-7
dtp/nci :2164
  
chemidplus :19132-06-0
epa-srs :19132-06-0
  
other : 
 
references : 
fl. number :02.133
pubchem :153852
NIST Chemistry WebBook :452379683
  
pubchem :174296
NIST Chemistry WebBook :4052742326
  
pubchem :10525757
NIST Chemistry WebBook :62945138
  
pubchem :36884037
  
synonyms :
2,3-butane diol
 butane-2,3-diol
2,3-butanediol
2,3-dihydroxybutane
 dimethyl ethylene glycol
 dimethylene glycol
soluble in :
 alcohol
 water, 1000000 mg/L @ 20C
natural occurrence in :
data pageulva rigida oil greece @ 1.70%



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Html Last modified 09/27/2008