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351002-98-7 molecular structure
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(2,5-diethoxyphenyl)methanol

ChemBase ID: 144799
Molecular Formular: C11H16O3
Molecular Mass: 196.24294
Monoisotopic Mass: 196.10994437
SMILES and InChIs

SMILES:
CCOc1ccc(c(c1)CO)OCC
Canonical SMILES:
CCOc1ccc(c(c1)CO)OCC
InChI:
InChI=1S/C11H16O3/c1-3-13-10-5-6-11(14-4-2)9(7-10)8-12/h5-7,12H,3-4,8H2,1-2H3
InChIKey:
DUQDSCGMPBHENF-UHFFFAOYSA-N

Cite this record

CBID:144799 http://www.chembase.cn/molecule-144799.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,5-diethoxyphenyl)methanol
IUPAC Traditional name
(2,5-diethoxyphenyl)methanol
Synonyms
2,5-Diethoxybenzyl alcohol
2,5-二乙氧基苯甲醇
CAS Number
351002-98-7
MDL Number
MFCD03427020
PubChem SID
24877602
162239011
PubChem CID
4092623

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
528617 external link Add to cart Please log in.
Data Source Data ID
PubChem 4092623 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.616864  H Acceptors
H Donor LogD (pH = 5.5) 1.6041694 
LogD (pH = 7.4) 1.6041694  Log P 1.6041694 
Molar Refractivity 55.2975 cm3 Polarizability 21.499815 Å3
Polar Surface Area 38.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
50-54 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
99% expand Show data source
Linear Formula
(C2H5O)2C6H3CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 528617 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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