Video

Product No: BQ5956

2,4-Dimethyl-1-heptene, >98.0%

Name: 2,4-Dimethyl-1-heptene
Brand: Chempure

()

CAS Number

19549-87-2

Total BLR Stock

Bulk Quote

Pack Size	Qty	Lead Time	Price	Quantity

About this item

IUPAC name	2,4-dimethylhept-1-ene
canonical smiles	CCCC(C)CC(=C)C
inchi	InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3
inchi key	CZGAOHSMVSIJJZ-UHFFFAOYSA-N
molecular formula	C9H18
synonyms	2,4-Dimethyl-1-heptene 19549-87-2 2,4-dimethylhept-1-ene 1-Heptene, 2,4-dimethyl- 2,4-Dimethyl-1-hepten
Compound Description	2,4-dimethyl-1-heptene is an alkene that is 2-methylhept-1-ene carrying a methyl group at position 4. It has a role as a human metabolite and an animal metabolite. It is an alkene and a volatile organic compound. It derives from a hydride of a heptane.

Computed Properties

Molecular Weight:	126.24 g/mol
XLogP3:	4.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	4
Exact Mass:	126.140850574 g/mol
Monoisotopic Mass:	126.140850574 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	82
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Heptane

1-Hexanethiol

3-Methylhexane

2,4-Dimethylhexane

4-Methylheptane

3-Methylheptane

2,3-Dimethylhexane

1-Heptanethiol

3-Methylhexanal

Dihydromyrcene

2-Chlorooctane

3-Ethyl-2-methylpentane

3-Ethylpentane

2,4-Dimethylheptane

4,5-Dimethyl-1-hexene

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (100%) Asp. Tox. 1 (100%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501
hazard statements	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
hazards summary	Highly flammable. Overexposure may cause skin and eye irritation. May have anesthetic effects (drowsiness, dizziness, and headache). See 1-Heptene.

;

About this item

Documentation

Certificate of Analysis

Lot Number

Require a Sample Certificate of Analysis (COA) ?

CAS #

*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!

Reviews

About this item

IUPAC name	2,4-dimethylhept-1-ene
canonical smiles	CCCC(C)CC(=C)C
inchi	InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3
inchi key	CZGAOHSMVSIJJZ-UHFFFAOYSA-N
molecular formula	C9H18
synonyms	2,4-Dimethyl-1-heptene 19549-87-2 2,4-dimethylhept-1-ene 1-Heptene, 2,4-dimethyl- 2,4-Dimethyl-1-hepten
Compound Description	2,4-dimethyl-1-heptene is an alkene that is 2-methylhept-1-ene carrying a methyl group at position 4. It has a role as a human metabolite and an animal metabolite. It is an alkene and a volatile organic compound. It derives from a hydride of a heptane.

Computed Properties

Molecular Weight:	126.24 g/mol
XLogP3:	4.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	4
Exact Mass:	126.140850574 g/mol
Monoisotopic Mass:	126.140850574 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	82
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Heptane

1-Hexanethiol

3-Methylhexane

2,4-Dimethylhexane

4-Methylheptane

3-Methylheptane

2,3-Dimethylhexane

1-Heptanethiol

3-Methylhexanal

Dihydromyrcene

2-Chlorooctane

3-Ethyl-2-methylpentane

3-Ethylpentane

2,4-Dimethylheptane

4,5-Dimethyl-1-hexene

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (100%) Asp. Tox. 1 (100%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501
hazard statements	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
hazards summary	Highly flammable. Overexposure may cause skin and eye irritation. May have anesthetic effects (drowsiness, dizziness, and headache). See 1-Heptene.

Product No: BQ5956

2,4-Dimethyl-1-heptene, >98.0%

Product No: BQ5956

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BQ5956

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?