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25574-04-3 molecular structure
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1-(4-methylphenyl)propan-1-ol

ChemBase ID: 144750
Molecular Formular: C10H14O
Molecular Mass: 150.21756
Monoisotopic Mass: 150.10446507
SMILES and InChIs

SMILES:
CCC(c1ccc(cc1)C)O
Canonical SMILES:
CCC(c1ccc(cc1)C)O
InChI:
InChI=1S/C10H14O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3
InChIKey:
ZBDUWPZEVMGAMD-UHFFFAOYSA-N

Cite this record

CBID:144750 http://www.chembase.cn/molecule-144750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methylphenyl)propan-1-ol
IUPAC Traditional name
1-(4-methylphenyl)propan-1-ol
Synonyms
1-(p-Tolyl)-1-propanol
1-(4-Methylphenyl)-1-propanol
1-(4-methylphenyl)propan-1-ol
1-(对甲苯基)-1-丙醇
1-(4-甲苯基)-1-丙醇
CAS Number
25574-04-3
MDL Number
MFCD00033356
PubChem SID
162238962
24879204
PubChem CID
2793873

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2793873 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.525813  H Acceptors
H Donor LogD (pH = 5.5) 2.6584148 
LogD (pH = 7.4) 2.6584148  Log P 2.6584148 
Molar Refractivity 46.8579 cm3 Polarizability 18.252237 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)
Boiling Point
234-235 °C(lit.) expand Show data source
Density
0.979 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.5180(lit.) expand Show data source
Hydrophobicity(logP)
2.441 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
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Linear Formula
CH3C6H4CH(OH)CH2CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 551171 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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