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60456-23-7 molecular structure
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(2R)-oxiran-2-ylmethanol

ChemBase ID: 88792
Molecular Formular: C3H6O2
Molecular Mass: 74.07854
Monoisotopic Mass: 74.03677943
SMILES and InChIs

SMILES:
O1C[C@H]1CO
Canonical SMILES:
OC[C@@H]1CO1
InChI:
InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m1/s1
InChIKey:
CTKINSOISVBQLD-GSVOUGTGSA-N

Cite this record

CBID:88792 http://www.chembase.cn/molecule-88792.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-oxiran-2-ylmethanol
[(2R)-oxiran-2-yl]methanol
IUPAC Traditional name
(+)-glycidol
Synonyms
(2S)-Oxiran-2-ylmethanol
(2S)-(-)-2,3-Epoxypropan-1-ol
(2S)-(-)-3-Hydroxy-1,2-propenoxide 97%
(R)-(+)-Oxirane-2-methanol
(R)-(+)-Glycidol
(2R)-oxiran-2-ylmethanol
R-Glycidol
(R)-(+)-Glycidol
(R)-Oxiran-2-ylmethanol
(R)-(+)-环氧乙烷-2-甲醇
(R)-(+)-缩水甘油
CAS Number
60456-23-7
57044-25-4
EC Number
404-660-4
MDL Number
MFCD00074873
Beilstein Number
79782
PubChem SID
162075698
24871720
24895208
PubChem CID
5460455

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.602878  H Acceptors
H Donor LogD (pH = 5.5) -0.67731047 
LogD (pH = 7.4) -0.67731047  Log P -0.67731047 
Molar Refractivity 17.006 cm3 Polarizability 6.8989635 Å3
Polar Surface Area 32.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
56-57 °C/11 mmHg(lit.) expand Show data source
66-67°C/19mm expand Show data source
Flash Point
150.8 °F expand Show data source
66 °C expand Show data source
Density
1.116 expand Show data source
1.116 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.43(lit.) expand Show data source
Optical Rotation
[α]23/D +15°, neat expand Show data source
Hydrophobicity(logP)
-0.96 expand Show data source
Storage Warning
Toxic/Store at -20°C expand Show data source
RTECS
RR0508000 expand Show data source
European Hazard Symbols
Explosive Explosive (E) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
45-60-2-21/22-23-34 expand Show data source
45-60-2-21/22-23-34-68 expand Show data source
Safety Statements
53-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H242-H302-H312-H314-H331-H341-H350-H360F expand Show data source
GHS Precautionary statements
P201-P261-P280-P305 + P351 + P338-P310 expand Show data source
P201-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 3 expand Show data source
Storage Temperature
-20°C expand Show data source
2-8°C expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Optical Purity
ee: 98% (GLC) expand Show data source
Impurities
<3% dichloromethane expand Show data source
Empirical Formula (Hill Notation)
C3H6O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 480819 external link
Application
Chiral building block used to construct an epoxyvinyl iodide intermediate in a synthesis of a furanocembrane, a marine natural product.1
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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