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1125-78-6 molecular structure
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5,6,7,8-tetrahydronaphthalen-2-ol

ChemBase ID: 70048
Molecular Formular: C10H12O
Molecular Mass: 148.20168
Monoisotopic Mass: 148.088815
SMILES and InChIs

SMILES:
c1c(ccc2CCCCc12)O
Canonical SMILES:
Oc1ccc2c(c1)CCCC2
InChI:
InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
InChIKey:
UMKXSOXZAXIOPJ-UHFFFAOYSA-N

Cite this record

CBID:70048 http://www.chembase.cn/molecule-70048.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,6,7,8-tetrahydronaphthalen-2-ol
IUPAC Traditional name
tetralol
Synonyms
5,6,7,8-Tetrahydro-2-naphthol
5,6,7,8-tetrahydronaphthalen-2-ol
5,6,7,8-Tetrahydro-2-naphthol
5,6,7,8-四氢-2-萘酚
CAS Number
1125-78-6
EC Number
214-410-4
MDL Number
MFCD00001738
PubChem SID
162035773
24850868
PubChem CID
14305

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.390475  H Acceptors
H Donor LogD (pH = 5.5) 3.1219292 
LogD (pH = 7.4) 3.1214933  Log P 3.1219347 
Molar Refractivity 45.5211 cm3 Polarizability 17.422318 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
59-61 °C(lit.) expand Show data source
Boiling Point
275-276 °C(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
QL5300000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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
26-37/39 expand Show data source
TSCA Listed
false 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
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C10H12O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 180459 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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