Structure

1,6-Hexanediol

CAS
629-11-8
Catalog Number
ACM-MO-629118
Category
Main Products; Diol Monomers
Molecular Weight
118.18 g/mol
Molecular Formula
C6H14O2

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Specification

Description
1,6-Hexanediol is a saturated straight-chain diol, colorless liquid at room temperature, soluble in water. Industrially, 1,6-hexanediol can be synthesized by hydrogenation of adipic acid or its esters. It is usually prepared in the laboratory by the reduction of adipic acid with lithium aluminum hydride.
Synonyms
1,6-Dihydroxyhexane;
Hexamethylene Glycol;
1,6-Hexylene Glycol
IUPAC Name
hexane-1,6-diol
Canonical SMILES
OCCCCCCO
InChI
1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChI Key
XXMIOPMDWAUFGU-UHFFFAOYSA-N
Boiling Point
250 °C
Melting Point
42 °C
Flash Point
215 °F
Density
0.96
Appearance
White to Almost White Powder to Lump
Application
1,6-Hexanediol can be used for a variety of s such as:
a structure-directing agent for the synthesis of ZSM-5 zeolite
a solvent for titanium tetraisopropoxide to form titanium oxide (TiO2) nanocrystals
a phase change material in combination with lauric acid for thermal energy storage s
Storage
2-8°C
Assay
99%
Autoignition Temperature
608 °F
Condition To Avoid
Hygroscopic
EC Number
211-074-0
Exact Mass
118.09900
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H-Bond Acceptor
2
H-Bond Donor
2
MDL Number
MFCD00002985
NACRES
NA.23
Packaging
Packaging
50 g in poly bottle
Physical State
Solid
PubChem ID
24854405
Quality Level
200
Safety Description
S23-S24/25-S36/37
Stability
Stable under normal temperatures and pressures.
Vapor Pressure
0.53 mmHg ( 20 °C)
What is the molecular formula of 1,6-Hexanediol?

The molecular formula of 1,6-Hexanediol is C6H14O2.

What is the molecular weight of 1,6-Hexanediol?

The molecular weight of 1,6-Hexanediol is 118.17 g/mol.

What is the IUPAC name of 1,6-Hexanediol?

The IUPAC name of 1,6-Hexanediol is hexane-1,6-diol.

What is the InChI key of 1,6-Hexanediol?

The InChI key of 1,6-Hexanediol is XXMIOPMDWAUFGU-UHFFFAOYSA-N.

What is the canonical SMILES of 1,6-Hexanediol?

The canonical SMILES of 1,6-Hexanediol is C(CCCO)CCO.

What is the CAS number of 1,6-Hexanediol?

The CAS number of 1,6-Hexanediol is 629-11-8.

What is the related CAS number for Poly(hexamethylene oxide) compound?

The related CAS number for Poly(hexamethylene oxide) compound is 31762-63-7.

What is the EC number of 1,6-Hexanediol?

The EC number of 1,6-Hexanediol is 211-074-0.

What is the UNII of 1,6-Hexanediol?

The UNII of 1,6-Hexanediol is ZIA319275I.

What is the XLogP3-AA value of 1,6-Hexanediol?

The XLogP3-AA value of 1,6-Hexanediol is 0.3.

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