Hexylene Glycol 99.0%

CAT: 0459-029243-01Size: 200 LDry Ice: NoHazardous: No

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CAT#:0459-029243-01Size:200 L

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CAS Number

107-41-5

Chemical Information

Hexylene Glycol

2-methylpentane-2,4-diol is a glycol in which the two hydroxy groups are at positions 2 and 4 of 2-methylpentane (isopentane).

CAS Number	107-41-5
PubChem CID	7870
IUPAC Name	2-methylpentane-2,4-diol
Molecular Formula	C6H14O2
Molecular Weight	118.17
XLogP	0.3
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	68

SMILES

CC(CC(C)(C)O)O

InChI

InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3

InChIKey

SVTBMSDMJJWYQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107-41-5

CID: 7870

Formula: C6H14O2

MW: 118.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.17
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	118.099379685
Monoisotopic Mass	118.099379685
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	68.9
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

Catalog	Name
085545-01	Ethylene Glycol for Synthesis 99.0%
029673-01	1,2-Propanediol (Propylene Glycol) 99.0%
RE3690-01	Yttrium Oxide 99.99.0%
RE3540-01	Yttrium Chloride 99.99.0%
RE3490-01	Yttrium Acetate 99.99.0%
RE2955-01	Terbium Chloride 99.99.0%
RE2665-01	Scandium Carbonate 99.99.0%
RE2640-01	Scandium Acetate 99.99.0%
RE2225-01	Praseodymium Carbonate 99.99.0%
RE3620-01	Yttrium Nitrate 99.99.0%

Catalog	Name
01356 00500	Hexylene Glycol 99% For Synthesis
70389-01	Hexylene Glycol pure, 99%
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HY-B0903R-01	Hexylene glycol (Standard)
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2762B 00500	Triethylene Glycol 99.0% GC
OR14175	4-Methoxybenzeneboronic acid, hexylene glycol ester
sc-264632A	1- (Trifluoromethyl) vinylboronic acid hexylene glycol ester
PC10338	4-Fluorobenzeneboronic acid, hexylene glycol cyclic ester