2,2-Dimethyl-1,3-hexanediol

HCID 89569
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Basic information

CAS
22006-96-8
Standard SMILES
CCCC(O)C(C)(C)CO
InChIKey
BGQUJDPWPVVEGV-UHFFFAOYSA-N
Molecular formula
C8H18O2
Average molar mass
146.23 g/mol
Monoisotopic mass
146.13067982

Names & identifiers

Preferred name
2,2-Dimethyl-1,3-hexanediol
IUPAC
2,2-dimethylhexane-1,3-diol
English name
2,2-dimethylhexane-1,3-diol
Molecular formula
C8H18O2
Molecular weight
146.23

Names & synonyms

2,2-Dimethylhexane-1,3-diol22006-96-82,2-dimethyl-1,3-hexanediolDTXSID80944610RefChem:1059106DTXCID101372950244-714-21,3-Hexanediol,2,2-dimethyl-1,3-Hexanediol, 2,2-dimethyl-EINECS 244-714-22,2-dimethyl-1,3hexanediol2,2dimethyl-1,3-hexanediol
Show more names
SCHEMBL713526HMS1787B20AKOS001025470DB-260234NS00049742ST50759430G78191

Database identifiers

CAS
22006-96-8
PubChem CID
89569
DTXSID
DTXSID80944610
EC Number
244-714-2
Nikkaji
J225.511A

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
10

Physicochemical properties

Boiling point
228.1 · 228.1±8.0 °C(Predicted)
Density
0.937 · 0.937±0.06 g/cm3(Predicted)
pka
14.94 · 14.94±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers10 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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