Butroxydim, min.97% (HPLC)

Name: Butroxydim
Brand: Chempure

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CAS Number

138164-12-2

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About this item

IUPAC name	5-(3-butanoyl-2,4,6-trimethylphenyl)-2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxycyclohex-2-en-1-one
inchi	InChI=1S/C24H33NO4/c1-7-10-19(26)23-15(5)11-14(4)22(16(23)6)17-12-20(27)24(21(28)13-17)18(8-2)25-29-9-3/h11,17,27H,7-10,12-13H2,1-6H3/b25-18+
inchi key	ZOGDSYNXUXQGHF-XIEYBQDHSA-N
molecular formula	C24H33NO4
synonyms	Butroxydim Butroxydim [ISO] 138164-12-2 LN82LZK7KD UNII-LN82LZK7KD
Compound Description	Butroxydim is a butanone.

Computed Properties

Molecular Weight:	399.5 g/mol
XLogP3:	4.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	8
Exact Mass:	399.24095853 Da
Monoisotopic Mass:	399.24095853 Da
Topological Polar Surface Area:	76 Å²
Heavy Atom Count:	29
Formal Charge:	0
Complexity:	666
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Repr. 2 (100%) Aquatic Acute 1 (100%) Aquatic Chronic 1 (100%) Reproductive toxicity - category 2 Acute toxicity - category 4 Skin irritation - category 2 Hazardous to the aquatic environment (acute) - category 1 Hazardous to the aquatic environment (chronic) - category 1 Repr. 2 Acute Tox. 4 * Skin Irrit. 2 Aquatic Acute 1 Aquatic Chronic 1
precautionary statement codes	P203, P264, P270, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P362+P364, P391, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	5-(3-butanoyl-2,4,6-trimethylphenyl)-2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxycyclohex-2-en-1-one
inchi	InChI=1S/C24H33NO4/c1-7-10-19(26)23-15(5)11-14(4)22(16(23)6)17-12-20(27)24(21(28)13-17)18(8-2)25-29-9-3/h11,17,27H,7-10,12-13H2,1-6H3/b25-18+
inchi key	ZOGDSYNXUXQGHF-XIEYBQDHSA-N
molecular formula	C24H33NO4
synonyms	Butroxydim Butroxydim [ISO] 138164-12-2 LN82LZK7KD UNII-LN82LZK7KD
Compound Description	Butroxydim is a butanone.

Computed Properties

Molecular Weight:	399.5 g/mol
XLogP3:	4.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	8
Exact Mass:	399.24095853 Da
Monoisotopic Mass:	399.24095853 Da
Topological Polar Surface Area:	76 Å²
Heavy Atom Count:	29
Formal Charge:	0
Complexity:	666
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Repr. 2 (100%) Aquatic Acute 1 (100%) Aquatic Chronic 1 (100%) Reproductive toxicity - category 2 Acute toxicity - category 4 Skin irritation - category 2 Hazardous to the aquatic environment (acute) - category 1 Hazardous to the aquatic environment (chronic) - category 1 Repr. 2 Acute Tox. 4 * Skin Irrit. 2 Aquatic Acute 1 Aquatic Chronic 1
precautionary statement codes	P203, P264, P270, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P362+P364, P391, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Product No: DT7985

Butroxydim, min.97% (HPLC)

Product No: DT7985

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: DT7985

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?