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15448-47-2 molecular structure
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(2R)-2-methyloxirane

ChemBase ID: 150447
Molecular Formular: C3H6O
Molecular Mass: 58.07914
Monoisotopic Mass: 58.04186481
SMILES and InChIs

SMILES:
C[C@@H]1CO1
Canonical SMILES:
C[C@@H]1CO1
InChI:
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m1/s1
InChIKey:
GOOHAUXETOMSMM-GSVOUGTGSA-N

Cite this record

CBID:150447 http://www.chembase.cn/molecule-150447.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-methyloxirane
IUPAC Traditional name
(+)-propylene oxide
Synonyms
(R)-(+)-Methyloxirane
(R)-(+)-1,2-Epoxypropane
(R)-(+)-Propylene oxide
(R)-1,2-Epoxypropane
(R)-Methyloxirane
(R)-(+)-1,2-环氧丙烷
(R)-(+)-甲基环氧乙烷
(R)-(+)-氧化丙烯
(R)-(+)-环氧丙烷 99%
CAS Number
15448-47-2
MDL Number
MFCD00066211
Beilstein Number
79764
Merck Index
147856
PubChem SID
24878434
162244608
PubChem CID
146261

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 146261 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.36959952  LogD (pH = 7.4) 0.36959952 
Log P 0.36959952  Molar Refractivity 15.4623 cm3
Polarizability 6.223392 Å3 Polar Surface Area 12.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
33-34 °C(lit.) expand Show data source
34-35°C expand Show data source
Flash Point
-34.6 °F expand Show data source
-37 °C expand Show data source
-37°C(-35°F) expand Show data source
Density
0.829 expand Show data source
0.829 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.366(lit.) expand Show data source
Optical Rotation
[α]20/D +14°, neat expand Show data source
RTECS
UJ2650000 expand Show data source
European Hazard Symbols
Highly flammable Highly flammable (F+) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
1280 expand Show data source
UN1280 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Risk Statements
12-25 expand Show data source
45-46-12-20/21/22-36/37/38 expand Show data source
Safety Statements
45 expand Show data source
53-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H224-H301 expand Show data source
H224-H340-H350-H302-H312-H332-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 1280 3/PG 1 expand Show data source
Purity
99% expand Show data source
Empirical Formula (Hill Notation)
C3H6O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 540048 external link
Packaging
5, 25 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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