trans-Crotonic acid - CAS 107-93-7

Name: trans-Crotonic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002149
Product Name:	trans-Crotonic acid
CAS:	107-93-7
Synonyms:	2-Butenoic acid, (2E)-; (2E)-2-Butenoic acid; 2-Butenoic acid, (E)-; Crotonic acid, (E)-; (E)-2-Butenoic acid; (E)-Crotonic acid; NSC 8751; trans-2-Butenoic acid
Application:	Crotonic Acid is found in water extracts from carrot seeds (Daucus carota L.) and is shown to have strong herbicidal properties.

Technical Data

IUPAC Name:	(E)-but-2-enoic acid
Description:	Crotonic acid can induce histone modifications in chemically induced pluripotent stem cells (CiPSCs).
Molecular Weight:	86.09
Molecular Formula:	C4H6O2
Canonical SMILES:	CC=CC(=O)O
InChI:	InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InChI Key:	LDHQCZJRKDOVOX-NSCUHMNNSA-N
Boiling Point:	184.7°C
Melting Point:	72°C
Flash Point:	190 °F
Purity:	≥95%
Density:	1.039±0.06 g/cm3
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-white Solid
Storage:	Store at 2-8°C
Decomposition:	Thermal decomposition products include carbon dioxide and carbon monoxide. /organic acids and related compounds/
MDL:	MFCD00002701
LogP:	0.64710
Vapor Pressure:	24 Pa at 20 °C

GHS Hazard Statement:	H302 (95.51%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501
Signal Word:	Danger

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KR-20210122563-A	Purification method of quantum dot	20200401
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PMID	Publication Date	Title	Journal
22209322	20120415	Effective removal of heavy metal ions Cd2+, Zn2+, Pb2+, Cu2+ from aqueous solution by polymer-modified magnetic nanoparticles	Journal of hazardous materials
22099517	20120101	Generation of poly-β-hydroxybutyrate from externally provided acetate in rice root	Plant physiology and biochemistry : PPB
21889175	20111201	Identification of lignans and related compounds in Anthriscus sylvestris by LC-ESI-MS/MS and LC-SPE-NMR	Phytochemistry
21958315	20111109	Synthesis and herbicidal activity of diphenyl ether derivatives containing unsaturated carboxylates	Journal of agricultural and food chemistry
22219845	20111101	(R)-N-(Ferrocenylmeth-yl)-1-hy-droxy-3-phenyl-propan-2-aminium (E)-but-2-enoate	Acta crystallographica. Section E, Structure reports online

Complexity:	73.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	86.03677943
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	86.03677943
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7