2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester

Basic Information

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CAS Number

39300-45-3

Molecular Formula

C18H24N2O6

Molecular Weight

364.39 g/mol

EINECS

254-408-0

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

138-140 ºC

Density

1.10

Flash Point

173.9°C

Refractive Index

1.5700 (estimate)

SMILES

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C/C=C/C(=O)Oc1c(cc(cc1[N+](=O)[O-])CCCCCC(C)C)[N+](=O)[O-].C/C=C/C(=O)Oc1c(CCCCCC(C)C)cc(cc1[N+](=O)[O-])[N+](=O)[O-]

InChI

1S/C18H24N2O6/c1-4-8-17(21)26-18-14(10-7-5-6-9-13(2)3)11-15(19(22)23)12-16(18)20(24)25/h4,8,11-13H,5-7,9-10H2,1-3H3

InChIKey

CJODAJKFLVIKHL-XBXARRHUSA-N

LogP

5.78980

Safety Information

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Hazard Class

Class 6.1(a) Class 6.1(a)

Toxicity

LD50 in male rats (mg/kg): 23 i.v.; 980 orally (Larson)

RTECS

GQ5775000

Synonyms & References

English

dinocap
Bariumcadmiumlaurate
DINOCAP (KARATHANE)
arathane
caprane
caratan
cr1639
dinokap
karatan
KARATHAN
mildex
SIALITE
2-Butenoic acid 2-isooctyl-4,6-dinitrophenyl ester
Dinocap
KARATHANE
KARATHANE(R)
ISOCOTHANE(R)
DINOCAP
CROTOTHANE
CROTOTHANE(R)
CR1639(R)

MDL Number

MFCD00054268

EC Number

254-408-0

Customs Code

29161900

FAQ

What regulatory guidelines apply to 2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester (CAS: 39300-45-3)?

This compound is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for EU, and FDA/EPA requirements. It is classified as a hazardous substance due to its chemical structure and potential health and environmental impacts. Specific guidelines include proper labeling, storage, and disposal to minimize risks.

Are there alternatives to 2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester (CAS: 39300-45-3) in synthesis?

Alternatives include using different esters or varying the substituents to achieve similar properties without the nitro groups. Common substitutes include 2-Butenoic acid, 4-isooctyl-4,6-dimethylphenyl ester or 2-Butenoic acid, 2-isooctyl-2,6-dimethylphenyl ester, which offer similar functionalities but without the potential for nitro compounds.

What is the market or research trend for 2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester (CAS: 39300-45-3)?

The market for this compound is niche, primarily driven by specialized applications in research and industrial settings. Recent trends show a focus on alternative compounds due to safety concerns. Research is increasingly exploring safer alternatives and the use of this compound in controlled, limited-scale applications.

How should waste containing 2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester (CAS: 39300-45-3) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but it must be conducted in a controlled environment to minimize environmental impact. Environmental protection measures include proper containment to prevent leaks and vapors, and adherence to local regulations.