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Product No: AA6421

2,4-Dimethyl-3-pentanol, 99%

Name: 2,4-Dimethyl-3-pentanol
Brand: Chempure

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CAS Number

600-36-2

Molecular Weight

116.2

Formula

(CH3)2CHCH(OH)CH(CH3)2

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IUPAC name	2,4-dimethylpentan-3-ol
canonical smiles	CC(C)C(C(C)C)O
inchi	InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3
inchi key	BAYAKMPRFGNNFW-UHFFFAOYSA-N
molecular formula	C7H16O
synonyms	2,4-DIMETHYL-3-PENTANOL 600-36-2 2,4-Dimethylpentan-3-ol Diisopropylcarbinol Diisopropylmethanol

Computed Properties

Molecular Weight:	116.20 g/mol
XLogP3:	2.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	116.120115130 g/mol
Monoisotopic Mass:	116.120115130 g/mol
Topological Polar Surface Area:	20.2 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	49.4
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

4-Methyl-2-pentanol

3-Methyl-2-butanol

2-Methylpentanal

3,3-Dimethyl-2-butanol

3-Methyl-1-pentyn-3-ol

2-Ethyl-1-butanol

2-Methyl-1-pentanol

2,4-Dimethyl-3-pentanone

2-Methylpentan-2-ol

2,3,4-Trimethyl-3-pentanol

3-Pentanol

1-Penten-3-OL

2-Methyl-3-hexanol

2-Methyl-3-butyn-2-OL

2,2,4-Trimethyl-1,3-pentanediol

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (100%) Acute Tox. 4 (82.98%) Skin Irrit. 2 (85.11%) Eye Dam. 1 (80.85%) STOT SE 3 (100%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (82.98%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (85.11%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (80.85%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Causes optic nerve neuropathy in 26-week intermittent inhalation studies (mammal species not specified). Causes other degenerative changes in brain and other changes in liver and kidney in 26-week intermittent oral studies of rabbits. An irritant. See Methyl alcohol.

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Documentation

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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	2,4-dimethylpentan-3-ol
canonical smiles	CC(C)C(C(C)C)O
inchi	InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3
inchi key	BAYAKMPRFGNNFW-UHFFFAOYSA-N
molecular formula	C7H16O
synonyms	2,4-DIMETHYL-3-PENTANOL 600-36-2 2,4-Dimethylpentan-3-ol Diisopropylcarbinol Diisopropylmethanol

Computed Properties

Molecular Weight:	116.20 g/mol
XLogP3:	2.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	2
Exact Mass:	116.120115130 g/mol
Monoisotopic Mass:	116.120115130 g/mol
Topological Polar Surface Area:	20.2 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	49.4
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

4-Methyl-2-pentanol

3-Methyl-2-butanol

2-Methylpentanal

3,3-Dimethyl-2-butanol

3-Methyl-1-pentyn-3-ol

2-Ethyl-1-butanol

2-Methyl-1-pentanol

2,4-Dimethyl-3-pentanone

2-Methylpentan-2-ol

2,3,4-Trimethyl-3-pentanol

3-Pentanol

1-Penten-3-OL

2-Methyl-3-hexanol

2-Methyl-3-butyn-2-OL

2,2,4-Trimethyl-1,3-pentanediol

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (100%) Acute Tox. 4 (82.98%) Skin Irrit. 2 (85.11%) Eye Dam. 1 (80.85%) STOT SE 3 (100%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (82.98%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (85.11%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (80.85%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Causes optic nerve neuropathy in 26-week intermittent inhalation studies (mammal species not specified). Causes other degenerative changes in brain and other changes in liver and kidney in 26-week intermittent oral studies of rabbits. An irritant. See Methyl alcohol.

Product No: AA6421

2,4-Dimethyl-3-pentanol, 99%

Product No: AA6421

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: AA6421

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?