Results for:
PubChem ID: 637090

(E)-but-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names
Crotonicacid
Crotonsaeure
Butenoate
Kyselina krotonova
LDHQCZJRKDOVOX-NSCUHMNNSA-N
Trans-crotonicacid
transcrotonic acid
acide crotonique
alpha-butenoate
CH3CH=CHCOOH
beta-Methylacrylic acid
BUTENOIC ACID
CROTONIC ACID
a-butenoate
AC1LCTHA
b-methylacrylic acid
beta-Methacrylic acid
2-Butenoicacid
alpha-Butenoic acid
alpha-Crotonic acid
Solid crotonic acid
trans-Crotonic acid
2-Butenoate
3-Methylacrylic acid
a-butenoic acid
a-crotonic acid
Crotonic acid, liquid
trans-2-butenoate
YW5WZZ4O5Q
2-Butenoic acid
2E-butenoic acid
Crotonic acid, solid
2-butenic acid
Kyselina krotonova [Czech]
UNII-YW5WZZ4O5Q
3-methyl-Acrylic acid
trans-2-Butenoic acid
NSC8751
RB8002
UN2823
but-2-enoic acid
HMDB10720
DB02074
RL00335
RL03422
(E)-Crotonic acid
C01771
Crotonic acid, 98%
HSDB 2814
ZINC901132
AK109438
BBL027395
BC206359
CHEMBL1213528
NSC 8751
NSC-8751
OR034290
OR224080
OR264009
STL146356
UN 2823
CHEBI:17217
CHEBI:41131
Crotonic acid 500g
E-but-2-enoic acid
S-5685
AB1002980
AJ-24338
AK-41668
AN-20947
AN-42841
BR-41668
C4:1n-2
KB-49131
LS-55550
LS-55551
SC-19111
Acrylic acid, 3-methyl-
BB_NC-2305
BDBM50427207
LMFA01030195
MFCD00002701
(2E)-2-butenoate
AI3-06287
DB-029600
DB-029602
KB-209269
NSC 206946
RTR-001884
ST24024688
ST24026349
TR-001884
(E)-2-Butenoic acid
AKOS000119656
I04-0308
J-002036
Q-101243
S04-0170
BRN 1098434
BRN 1719943
FT-0624102
FT-0654375
(2E)-2-Butenoic acid
Crotonic acid, (E)-
(E)-but-2-enoic acid
107-93-7
F2191-0211
(2E)-but-2-enoic acid
3724-65-0
NCGC00249105-01
EINECS 203-533-9
EINECS 223-077-4
15105-17-6
2-Butenoic acid, (E)-
2-butenoic acid, (2E)-
MolPort-001-783-233
31578-EP2308858A1
31578-EP2311816A1
31578-EP2311817A1
Crotonic acid, liquid [UN2823] [Corrosive]
Crotonic acid, solid [UN2823] [Corrosive]
Crotonic acid, liquid [UN2823] [Corrosive]
2-Butenoic acid, (E)- (9CI)
4-02-00-01498 (Beilstein Handbook Reference)
InChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2
Microorganism:

Yes

IUPAC name(E)-but-2-enoic acid
SMILESCC=CC(=O)O
InchiInChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
FormulaCH3-CH=CH-COOH
PubChem ID637090
Molweight86.09
LogP0.92
Atoms12
Bonds11
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids Alkenes carboxylic acids

mVOC Specific Details

Volatilization
The Henry's Law constant for trans-crotonic acid is estimated as 2.4X10-7 atm-cu m/mole(SRC) from a vapor pressure of 0.18 mm Hg(1) and a measured water solubility of 8.6X10+4 mg/l(2). This value indicates that trans-crotonic acid will be essentially nonvolatile from water surfaces(3,SRC). trans-Crotonic acid's Henry's Law constant(1,2,SRC) indicates that volatilization from moist soil surfaces is not expected to occur(SRC).
Literature: (1) Blau W et al; Ullmann's Encycl Indust Chem. Gerhartz W (ed). NY,NY: VCH Publ Vol A8: 85-88 (1987) (2) Yalkowsky SH, Dannenfelser RM; The Aquasol Database of Aqueous Solubility. Fifth ed, Tucson, AZ: Univ AZ, College of Pharmacy, PC Ver. (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of crotonic acid is estimated as approximately 59(SRC), using a measured log Kow of 0.72(1) and a regression-derived equation(2,SRC). According to a classification scheme(3), this estimated Koc value suggests that crotonic acid is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR (consult ed) Washington,DC: Amer Chem Soc p 9(1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
24 Pa at 20 deg CGerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA8 86
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaClostridium Sp.n/an/a