Home > Compound List > Compound details
3360-41-6 molecular structure
click picture or here to close

4-phenylbutan-1-ol

ChemBase ID: 68731
Molecular Formular: C10H14O
Molecular Mass: 150.21756
Monoisotopic Mass: 150.10446507
SMILES and InChIs

SMILES:
C(CCCc1ccccc1)O
Canonical SMILES:
OCCCCc1ccccc1
InChI:
InChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChIKey:
LDZLXQFDGRCELX-UHFFFAOYSA-N

Cite this record

CBID:68731 http://www.chembase.cn/molecule-68731.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenylbutan-1-ol
IUPAC Traditional name
4-phenylbutanol
p-hydroxybutylbenzene
Synonyms
4-PHENYL BUTANOL-1
4-Phenylbutan-1-ol
4-Phenyl-1-butanol
4-苯基-1-丁醇
CAS Number
3360-41-6
EC Number
222-128-8
MDL Number
MFCD00002971
Beilstein Number
2042122
PubChem SID
24887275
24851129
162034461
PubChem CID
76889

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.974289  H Acceptors
H Donor LogD (pH = 5.5) 2.3836946 
LogD (pH = 7.4) 2.3836946  Log P 2.3836946 
Molar Refractivity 46.8309 cm3 Polarizability 18.258574 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
138/140°C/14mm expand Show data source
138-140°C/14mm expand Show data source
140-142 °C/14 mmHg(lit.) expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
110 °C expand Show data source
230 °F expand Show data source
Density
0.975 expand Show data source
0.984 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.5210 expand Show data source
n20/D 1.521 expand Show data source
n20/D 1.521(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
≥99.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H5(CH2)4OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05222296 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 184756 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle