1,6-Hexanediol, 98%

Name: 1,6-Hexanediol
Brand: Chempure

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CAS Number

629-11-8

Molecular Weight

118.18

Formula

C6H14O2

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IUPAC name	hexane-1,6-diol
canonical smiles	C(CCCO)CCO
inchi	InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
inchi key	XXMIOPMDWAUFGU-UHFFFAOYSA-N
molecular formula	C6H14O2
synonyms	1,6-HEXANEDIOL Hexane-1,6-diol 629-11-8 Hexamethylene glycol 1,6-Dihydroxyhexane
Compound Description	Hexane-1,6-diol is a diol that is hexane substituted by hydroxy groups at positions 1 and 6. It is a diol and a primary alcohol. It derives from a hydride of a hexane. Hexanediol is a metabolite found in or produced by Saccharomyces cerevisiae.

Computed Properties

Molecular Weight:	118.17 g/mol
XLogP3:	0.3
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	5
Exact Mass:	118.099379685 g/mol
Monoisotopic Mass:	118.099379685 g/mol
Topological Polar Surface Area:	40.5 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	31.5
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

hazard signal
hazard classes and categories	Not Classified
hazard statements	Not Classified Reported as not meeting GHS hazard criteria by 4525 of 4611 companies (only ~ 1.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website. Not Classified Reported as not meeting GHS hazard criteria by 25 of 25 companies. For more detailed information, please visit ECHA C&L website.
hazards summary	An eye irritant.

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Product No: AA6450

1,6-Hexanediol, 98%

Product No: AA6450

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

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