Results for:
PubChem ID: 637090

(E)-but-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names
CROTONIC ACID
107-93-7
(E)-but-2-enoic acid
3724-65-0
2-Butenoic acid
trans-Crotonic acid
trans-2-Butenoic acid
(E)-2-Butenoic acid
BUTENOIC ACID
(E)-Crotonic acid
but-2-enoic acid
3-Methylacrylic acid
(2E)-but-2-enoic acid
alpha-Butenoic acid
2-butenoic acid, (2E)-
beta-Methylacrylic acid
alpha-Crotonic acid
Solid crotonic acid
beta-Methacrylic acid
2-Butenoic acid, (E)-
Kyselina krotonova
Crotonic acid, (E)-
(2E)-2-Butenoic acid
crotonate
NSC 8751
2-Butenoate
2E-butenoic acid
NSC 206946
Acrylic acid, 3-methyl-
NSC-8751
YW5WZZ4O5Q
CHEBI:41131
NSC8751
alpha-butenoate
MFCD00002701
.alpha.-Crotonic acid
trans-2-butenoate
b-methylacrylic acid
(2E)-2-butenoate
(E)-but-2-enoate
(2E)-but-2-enoate
DTXCID507544
C4:1n-2
Kyselina krotonova [Czech]
CH3CH=CHCOOH
CAS-3724-65-0
HSDB 2814
EINECS 203-533-9
EINECS 223-077-4
UNII-YW5WZZ4O5Q
UN2823
DTXSID7027544
CHEBI:17217
BRN 1098434
BRN 1719943
Crotonsaeure
Butenoate
a-butenoate
a-butenoic acid
a-crotonic acid
acide crotonique
AI3-06287
2-Butenoicacid
2-butenic acid
Trans-crotonicacid
NSC-206946
UN 2823
b-methacrylic acid
Crotonic acid, solid
Crotonic acid, liquid
E-but-2-enoic acid
3-methyl-Acrylic acid
Crotonic acid, 98%
Crotonic acid, solid [UN2823] [Corrosive]
EC 203-533-9
CROTONIC ACID [MI]
CROTONIC ACID [HSDB]
CROTONIC ACID [INCI]
4-02-00-01498 (Beilstein Handbook Reference)
CROTONIC ACID, TRANS-
.BETA.-METHACRYLIC ACID
CHEMBL1213528
FEMA NO. 3908
DTXSID30880973
AMY11255
HY-Y1644
Tox21_201730
Tox21_303208
BBL027395
BDBM50427207
LMFA01030195
RB8002
STL146356
(E)-2-BUTENOIC ACID [FHFI]
AKOS000119656
AT32243
DB02074
NCGC00249105-01
NCGC00257147-01
NCGC00259279-01
DB-029600
DB-029602
CS-0017976
NS00002825
EN300-19907
C01771
Crotonic acid, liquid [UN2823] [Corrosive]
EN300-306935
A902650
Q414207
J-002036
Q-101243
F2191-0211
Z104476026
(2E)-2-Butenoic acid; (E)-Crotonic acid; trans-2-Butenoic acid; trans-Crotonic acid
(E)-2-Butenoic acid; (E)-Crotonic acid; trans-2-Butenoic acid; trans-Crotonic acid; NSC 8751
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+
FormulaC4H6O2
PubChem ID637090
Molweight86.09
LogP0.7
Atoms6
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID17217
Supernatural-IDSN0202398-02

mVOC Specific Details

Boiling Point
DegreeReference
185 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaClostridium Sp.n/an/ano