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58175-57-8 molecular structure
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2-propylpentan-1-ol

ChemBase ID: 147711
Molecular Formular: C8H18O
Molecular Mass: 130.22792
Monoisotopic Mass: 130.1357652
SMILES and InChIs

SMILES:
CCCC(CCC)CO
Canonical SMILES:
CCCC(CCC)CO
InChI:
InChI=1S/C8H18O/c1-3-5-8(7-9)6-4-2/h8-9H,3-7H2,1-2H3
InChIKey:
LASHFHLFDRTERB-UHFFFAOYSA-N

Cite this record

CBID:147711 http://www.chembase.cn/molecule-147711.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-propylpentan-1-ol
IUPAC Traditional name
2-propylpentan-1-ol
Synonyms
2-Propyl-1-pentanol
2-丙基-1-戊醇
CAS Number
58175-57-8
MDL Number
MFCD00010260
PubChem SID
162241896
24856752
PubChem CID
123543

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
277312 external link Add to cart Please log in.
Data Source Data ID
PubChem 123543 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.681572  H Acceptors
H Donor LogD (pH = 5.5) 2.5040007 
LogD (pH = 7.4) 2.5040007  Log P 2.5040007 
Molar Refractivity 40.4095 cm3 Polarizability 16.091919 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
80-82 °C/12 mmHg(lit.) expand Show data source
Flash Point
161.6 °F expand Show data source
72 °C expand Show data source
Density
0.83 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.43(lit.) expand Show data source
RTECS
SA7660000 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
26-36/37/39 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
99% expand Show data source
Linear Formula
(CH3CH2CH2)2CHCH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 277312 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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