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770-35-4 molecular structure
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1-phenoxypropan-2-ol

ChemBase ID: 150819
Molecular Formular: C9H12O2
Molecular Mass: 152.19038
Monoisotopic Mass: 152.08372962
SMILES and InChIs

SMILES:
CC(COc1ccccc1)O
Canonical SMILES:
CC(COc1ccccc1)O
InChI:
InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKey:
IBLKWZIFZMJLFL-UHFFFAOYSA-N

Cite this record

CBID:150819 http://www.chembase.cn/molecule-150819.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenoxypropan-2-ol
IUPAC Traditional name
1-phenoxy-2-propanol
Synonyms
DOWANOL® PPh
Propylene glycol phenyl ether
Propylene phenoxytol
1-Phenoxy-2-propanol
丙二醇苯醚
苯氧异丙醇
1-苯氧基-2-丙醇
CAS Number
770-35-4
EC Number
212-222-7
MDL Number
MFCD00016861
Beilstein Number
1941356
PubChem SID
24887229
162244979
24871949
PubChem CID
92839

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 92839 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.8345995  H Acceptors
H Donor LogD (pH = 5.5) 1.5420476 
LogD (pH = 7.4) 1.5420475  Log P 1.5420476 
Molar Refractivity 43.2323 cm3 Polarizability 17.146587 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
242-244°C expand Show data source
243 °C(lit.) expand Show data source
Flash Point
113 °C expand Show data source
120°C(248°F) expand Show data source
235.4 °F expand Show data source
Density
1.060 expand Show data source
1.064 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.5230 expand Show data source
n20/D 1.523(lit.) expand Show data source
n20/D 1.525 expand Show data source
RTECS
UB8886500 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
1 expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
23-26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
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
≥80% (GC) expand Show data source
≥93% expand Show data source
tech. 85% expand Show data source
Grade
technical expand Show data source
Impurities
<7% di(propylene glycol) phenyl ether expand Show data source
Linear Formula
C6H5OCH2CH(OH)CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 484423 external link
Packaging
1 L in glass bottle
Legal Information
DOWANOL is a registered trademark of The Dow Chemical Company or an affiliated company of Dow

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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