3-buten-2-ol
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IUPAC name :but-3-en-2-ol
InChI :InChI=1/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3
InChIKey :MKUWVMRNQOOSAT-UHFFFAOYAN
SMILES :CC(C=C)O
cas number :598-32-3
(EINECS) number :209-929-8
beilstein number :1361410
fl. number :02.131
molar refractivity :21.79 ± 0.3 cm3
parachor :194.4 ± 4.0 cm3
index of refraction :1.412 ± 0.02
surface tension :24.3 ± 3.0 dyne/cm
density :0.823 ± 0.06 g/cm3
polarizability :8.64 ± 0.5 10-24cm3
XlogP : 0.60
XlogP3-AA : 0.60
molecular weight : 72.1057200 (IUPAC)
formula :C4 H8 O
NMR Predictor :Predict
 
 
IUPAC name :(2R)-but-3-en-2-ol
InChI :InChI=1/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3/t4-/m1/s1
InChIKey :MKUWVMRNQOOSAT-SCSAIBSYBJ
SMILES :C[C@H](C=C)O
cas number :598-32-3  (R)
molar refractivity :21.79 ± 0.3 cm3
parachor :194.4 ± 4.0 cm3
index of refraction :1.412 ± 0.02
surface tension :24.3 ± 3.0 dyne/cm
density :0.823 ± 0.06 g/cm3
polarizability :8.64 ± 0.5 10-24cm3
XlogP : 0.60
XlogP3-AA : 0.60
molecular weight : 72.1057200 (IUPAC)
formula :C4 H8 O
NMR Predictor :Predict
 
 
IUPAC name :(2S)-but-3-en-2-ol
InChI :InChI=1/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3/t4-/m0/s1
InChIKey :MKUWVMRNQOOSAT-BYPYZUCNBU
SMILES :C[C@@H](C=C)O
cas number :598-32-3  (S)
molar refractivity :21.79 ± 0.3 cm3
parachor :194.4 ± 4.0 cm3
index of refraction :1.412 ± 0.02
surface tension :24.3 ± 3.0 dyne/cm
density :0.823 ± 0.06 g/cm3
polarizability :8.64 ± 0.5 10-24cm3
XlogP : 0.60
XlogP3-AA : 0.60
molecular weight : 72.1057200 (IUPAC)
formula :C4 H8 O
NMR Predictor :Predict
 
 
export tariff code :2905.29.0000
fda reg :unspecified
Suppliers :
Nanjing :3-buten-2-ol
Sigma-Aldrich-Aldrich :3-Buten-2-ol
97%
TCI AMERICA :1-buten-3-ol
>97.0%(GC)
organoleptics :
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.83200 @ 25.00 °C.
boiling point : 96.00 to 97.00 °C. @ 760.00 mm Hg
flash point : 62.00  °F.  TCC  ( 16.67 °C. )
logP (o/w) : 0.52
safety :
most important hazard(s) :Xn - Harmful.
  R 11 - Highly flammable.
R 20 - Harmful by inhalation.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 3-buten-2-ol usage levels up to :
 not for fragrance use.
recommendation for 3-buten-2-ol usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1987
 
WGK Germany :3
 
 
 
 but-3-en-2-ol
(EINECS) number :209-929-8
RTECS :EM9275050 for 598-32-3
chemidplus :000598323
EPA Substance Registry Services :598-32-3
dtp/nci :17481
 (2R)-but-3-en-2-ol
 (2S)-but-3-en-2-ol
references :
 but-3-en-2-ol
fl. number :02.131
NIST Chemistry WebBook :683969552
pubchem :155019
 (2R)-but-3-en-2-ol
pubchem :43597649
 (2S)-but-3-en-2-ol
pubchem :43601416
other :
synonyms :
 but-3-en-2-ol
(±)-3-buten-2-ol
1-buten-3-ol
3-butene-2-ol
3-hydroxy-1-butene
1-methyl allyl alcohol
alpha-methyl allyl alcohol
 methyl vinyl carbinol
1-methyl-2-propenol
2-methyl-2-propenol
soluble in :
 alcohol
natural occurrence in :
not found in nature



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