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Molecule
ID:61707
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₆O₂
Molecular Mass
74.07854
Exact Mass
74.03677943
Charge
0
InChI
InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2
InChIKey
QMLWSAXEQSBAAQ-UHFFFAOYSA-N
Canonic Smiles
OC1COC1
Isomeric Smiles
O1CC(C1)O
Calculated Properties
JChem
Acid pKa
14.040822
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.67731047
LogD (pH = 7.4)
-0.6773105
Log P
-0.67731047
Molar Refractivity
17.006
Polarizability
6.8989635
Polar Surface Area
29.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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Quote
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC Traditional name
•
IUPAC name
•
Synonyms
Registration numbers
•
CAS Number
•
MDL Number
•
PubChem SID
•
PubChem CID
Properties
•
Physical Property
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Product Information
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Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Matrix Scientific
066958
Sigma Aldrich
733296
Enamine
EN300-69923
Bide Pharmatech
BD34922
Alfa Aesar
H57928
A&J Pharmtech
AJA-O12678
AJA-O13205
Academic Data
PubChem
9942117
Names and Identifiers
IUPAC Traditional name
oxetan-3-ol
IUPAC name
oxetan-3-ol
Synonyms
3-Oxetanol
oxetan-3-ol
3-Oxetanol
3-Hydroxyoxetane
3-Hydroxyoxetane
1,3-Epoxy-2-propanol
3-Oxetanol
Registration numbers
CAS Number
7748-36-9
MDL Number
MFCD09056790
PubChem SID
162027448
PubChem CID
9942117
Molecule Details
Sigma Aldrich
733296
Packaging
1 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Properties
Physical Property
Boiling Point
153°C
Source
153°C
Source
Density
1.167
Source
1.167 g/mL at 25 °C
Source
Refractive Index
1.438
Source
n20/D 1.438
Source
Flash Point
87 °C
Source
188.6 °F
Source
87°C(189°F)
Source
-0.691
Source
Product Information
97%
Source
95%
Source
95+%
Source
98%
Source
C3H6O2
Source
Safety Information
Download link
Source
Download link
Source
IRRITANT
Source
false
Source
否
Source
Danger
Source
GHS Hazard statements
H302
-
H315
-
H318
-
H335
Source
H301
-
H315
-
H335
-
H318
-
H227
Source
European Hazard Symbols
Harmful (Xn)
Source
Harmful (X)
German water hazard class
3
Source
Risk Statements
22
-
37/38
-
41
Source
Safety Statements
26
-
39
Source
23
-
26
-
36/37/39
-
60
Source
GHS Pictograms
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
GHS Precautionary statements
P261
-
P280
-
P305+P351+P338
Source
P210
-
P301+P310
-
P305+P351+P338
-
P302+P352
-
P405
-P501A
Source
Hydrophobicity(logP)
Purity
Empirical Formula (Hill Notation)
MSDS Link
Storage Warning
TSCA Listed
GHS Signal Word
Source
Source
Source