2-buten-1-ol
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IUPAC name :but-2-en-1-ol
InChI :InChI=1/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3
InChIKey :WCASXYBKJHWFMY-UHFFFAOYAM
SMILES :CC=CCO
cas number :6117-91-5
(EINECS) number :228-086-7
beilstein number :1719374
coe number :11737
fl. number :02.130
molar refractivity :22.17 ± 0.3 cm3
parachor :195.2 ± 4.0 cm3
index of refraction :1.430 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.841 ± 0.06 g/cm3
polarizability :8.79 ± 0.5 10-24cm3
XlogP : 0.60
XlogP3-AA : 0.40
molecular weight : 72.1057200 (IUPAC)
formula :C4 H8 O
NMR Predictor :Predict
 
 
IUPAC name :(E)-but-2-en-1-ol
InChI :InChI=1/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+
InChIKey :WCASXYBKJHWFMY-NSCUHMNNBR
SMILES :C/C=C/CO
cas number :504-61-0
(EINECS) number :207-996-8
molar refractivity :22.17 ± 0.3 cm3
parachor :195.2 ± 4.0 cm3
index of refraction :1.430 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.841 ± 0.06 g/cm3
polarizability :8.79 ± 0.5 10-24cm3
XlogP : 0.60
XlogP3-AA : 0.40
molecular weight : 72.1057200 (IUPAC)
formula :C4 H8 O
NMR Predictor :Predict
 
 
IUPAC name :(Z)-but-2-en-1-ol
InChI :InChI=1/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2-
InChIKey :WCASXYBKJHWFMY-IHWYPQMZBO
SMILES :C/C=C\CO
cas number :4088-60-2
molar refractivity :22.17 ± 0.3 cm3
parachor :195.2 ± 4.0 cm3
index of refraction :1.430 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.841 ± 0.06 g/cm3
polarizability :8.79 ± 0.5 10-24cm3
XlogP : 0.60
XlogP3-AA : 0.40
molecular weight : 72.1057200 (IUPAC)
formula :C4 H8 O
NMR Predictor :Predict
 
 
export tariff code :2905.29.0000
fda reg :unspecified
Suppliers :
Nanjing :2-buten-1-ol,(2Z)-
Nanjing :crotyl alcohol
Pfaltz & Bauer :2-Buten-1-ol Mixture of cis and trans isomers
Sigma-Aldrich-Aldrich :Crotyl alcohol
96%, mixture of cis and trans
TCI AMERICA :Crotyl Alcohol (cis- and trans- mixture)
>95.0%(GC)
organoleptics :
properties :
appearence :pale yellow clear liquid
assay : 80.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.84500 @ 25.00 °C.
boiling point : 120.00 to 122.00 °C. @ 760.00 mm Hg
vapor pressure :1.80000 mm/Hg @ 20.00 °C.
flash point : 99.00  °F.  TCC  ( 37.22 °C. )
logP (o/w) : 0.69
safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 24 - Avoid contact with skin.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    793.00  mg/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Dermal Toxicity(LD50) :
  Skin-Rabbit  1084.00  mg/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 2-buten-1-ol usage levels up to :
 not for fragrance use.
recommendation for 2-buten-1-ol usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1987
 
WGK Germany :3
 
 
 
 but-2-en-1-ol
(EINECS) number :228-086-7
RTECS :EM9275000 for 6117-91-5
chemidplus :006117915
EPA Substance Registry Services :6117-91-5
 
 
 (E)-but-2-en-1-ol
(EINECS) number :207-996-8
chemidplus :000504610
EPA Substance Registry Services :504-61-0
 
 
 (Z)-but-2-en-1-ol
chemidplus :004088602
EPA Substance Registry Services :4088-60-2
dtp/nci :17480
references :
 but-2-en-1-ol
fl. number :02.130
NIST Chemistry WebBook :3605367083
pubchem :165148
 (E)-but-2-en-1-ol
NIST Chemistry WebBook :2256719328
pubchem :670568
 (Z)-but-2-en-1-ol
NIST Chemistry WebBook :2742200959
pubchem :162868
other :
synonyms :
 but-2-en-1-ol
2-butene-1-ol
2-butenol
2-butenyl alcohol
 crotonyl alcohol
 crotyl alcohol
3-methyl allyl alcohol
soluble in :
 alcohol
 water, 1000000 mg/L @ 20C
natural occurrence in :
not found in nature



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