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2026-08-6 molecular structure
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[8-(hydroxymethyl)naphthalen-1-yl]methanol

ChemBase ID: 148426
Molecular Formular: C12H12O2
Molecular Mass: 188.22248
Monoisotopic Mass: 188.08372962
SMILES and InChIs

SMILES:
c1cc2cccc(c2c(c1)CO)CO
Canonical SMILES:
OCc1cccc2c1c(CO)ccc2
InChI:
InChI=1S/C12H12O2/c13-7-10-5-1-3-9-4-2-6-11(8-14)12(9)10/h1-6,13-14H,7-8H2
InChIKey:
DINZUYYYXDLSJE-UHFFFAOYSA-N

Cite this record

CBID:148426 http://www.chembase.cn/molecule-148426.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[8-(hydroxymethyl)naphthalen-1-yl]methanol
IUPAC Traditional name
[8-(hydroxymethyl)naphthalen-1-yl]methanol
Synonyms
1,8-Naphthalenedimethanol
1,8-萘二甲醇
CAS Number
2026-08-6
MDL Number
MFCD00183549
PubChem SID
162242602
24872964
PubChem CID
74846

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
495298 external link Add to cart Please log in.
Data Source Data ID
PubChem 74846 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.826951  H Acceptors
H Donor LogD (pH = 5.5) 1.428023 
LogD (pH = 7.4) 1.428023  Log P 1.428023 
Molar Refractivity 56.14 cm3 Polarizability 22.788671 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
153-156 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Linear Formula
C10H6(CH2OH)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 495298 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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