3-(2-Ethoxyphenoxy)-1,2-propanediol

HCID 68825
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Basic information

CAS
63834-83-3
Standard SMILES
CCOc1ccccc1OCC(O)CO
InChIKey
XLOYQLAMNLMXCE-UHFFFAOYSA-N
Molecular formula
C11H16O4
Average molar mass
212.24 g/mol
Monoisotopic mass
212.10485899

Names & identifiers

Preferred name
3-(2-Ethoxyphenoxy)-1,2-propanediol
IUPAC
3-(2-ethoxyphenoxy)propane-1,2-diol
English name
guaietolin
Molecular formula
C11H16O4
Molecular weight
212.24

Names & synonyms

Guaietolin63834-83-3GuaietolineGuaietolinumGuethural3-(o-Ethoxyphenoxy)-1,2-propanediol3-(2-Ethoxyphenoxy)-1,2-propanediolGuaietolinaG9J54386JHRefChem:1066522264-504-43-(2-ethoxyphenoxy)propane-1,2-diol
Show more names
1,2-Propanediol, 3-(2-ethoxyphenoxy)-
Guaietolin [INN]Guaietolin (INN)GuaietolinoGuethralGuaietoline [INN-French]Guaietolinum [INN-Latin]Guaietolino [INN-Spanish]EINECS 264-504-4

Database identifiers

CAS
63834-83-3
PubChem CID
68825
DTXSID
DTXSID10867040
ChEMBL
CHEMBL2107653
UNII
G9J54386JH
EC Number
264-504-4
Nikkaji
J19.455G

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
58.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
15

Physicochemical properties

Melting point
65 · 65-66 °C(Solv: hexane (110-54-3))
Boiling point
153 · 153-154 °C(Press: 1.0 Torr)
Density
1.163 · 1.163±0.06 g/cm3(Predicted)
pka
13.53 · 13.53±0.20(Predicted)
form
solid
color
White

Safety & regulation

Safety data

hs_code
2909498090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H335-H302+H312+H332-H315
Precautionary statements
P280-P301+P312-P362+P364

Chemistry & industry

Suppliers2 total

北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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