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75-56-9 molecular structure
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2-methyloxirane

ChemBase ID: 129135
Molecular Formular: C3H6O
Molecular Mass: 58.07914
Monoisotopic Mass: 58.04186481
SMILES and InChIs

SMILES:
CC1CO1
Canonical SMILES:
CC1CO1
InChI:
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
InChIKey:
GOOHAUXETOMSMM-UHFFFAOYSA-N

Cite this record

CBID:129135 http://www.chembase.cn/molecule-129135.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyloxirane
IUPAC Traditional name
propylene oxide
Synonyms
Propylene oxide
Epoxypropane
Propylene epoxide
1,2-Propylene oxide
Methyl oxirane
1,2-Epoxypropane
Propene oxide
Methyl ethylene oxide
Methylethylene oxide: PPO
PO
Propylene oxide
(±)-1,2-Epoxypropane
(±)-Methyloxirane
(±)-Propylene oxide
(+/-)-环氧丙烷
(±)-甲基环氧乙烷
1,2-环氧丙烷
(±)-环氧丙烷
CAS Number
75-56-9
EC Number
200-879-2
MDL Number
MFCD00005126
Beilstein Number
79763
Merck Index
147856
PubChem SID
24846968
24868010
24887962
24870775
24854416
162223434
24880314
PubChem CID
6378
KEGG ID
C15508
Wikipedia Title
Propylene_oxide

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)
Solubility
Appreciable in water expand Show data source
Apperance
Colorless liquid expand Show data source
Liquid expand Show data source
Melting Point
-112 °C expand Show data source
-112 °C(lit.) expand Show data source
-112°C expand Show data source
Boiling Point
34 °C expand Show data source
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 (-34.6°F) expand Show data source
-37°C(-35°F) expand Show data source
Auto Ignition Point
1378 °F expand Show data source
747°C (1376.6°F) expand Show data source
Density
0.83 expand Show data source
0.83 g/mL at 25 °C(lit.) expand Show data source
0.830 g/cm3 expand Show data source
Refractive Index
1.3660 expand Show data source
n20/D 1.366 expand Show data source
n20/D 1.366(lit.) expand Show data source
Vapor Pressure
29.43 psi ( 55 °C) expand Show data source
8.59 psi ( 20 °C) expand Show data source
Vapor Density
2 (vs air) expand Show data source
RTECS
TZ2975000 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
Download expand Show data source
Download expand Show data source
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
Hazard Class
3 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Risk Statements
45-46-12-20/21/22-36/37/38 expand Show data source
Safety Statements
53-45 expand Show data source
R expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
4
3
2
expand Show data source
Explode Limits
2.1-37% expand Show data source
37 % expand Show data source
GHS Hazard statements
H224-H302 + H312 + H332-H315-H319-H335-H340-H350 expand Show data source
H224-H302-H312-H315-H319-H332-H335-H340-H350 expand Show data source
H224-H340-H350-H302-H312-H332-H315-H319-H335 expand Show data source
GHS Precautionary statements
P201-P210-P261-P280-P305 + P351 + P338-P308 + P313 expand Show data source
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, 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
≥99.0% expand Show data source
≥99.0% (GC) expand Show data source
≥99.5% expand Show data source
≥99.5% (GC) expand Show data source
≥99.7% (GC) expand Show data source
99% expand Show data source
99+% expand Show data source
Grade
analytical standard expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
ReagentPlus® expand Show data source
SAJ special grade expand Show data source
Packaging
ampule of 500 mg expand Show data source
Evaporation Residue
≤0.005% expand Show data source
Impurities
≤0.1% water expand Show data source
Cation Traces
Al: ≤0.5 mg/kg expand Show data source
Ba: ≤0.1 mg/kg expand Show data source
Bi: ≤0.1 mg/kg expand Show data source
Ca: ≤0.5 mg/kg expand Show data source
Cd: ≤0.05 mg/kg expand Show data source
Co: ≤0.02 mg/kg expand Show data source
Cr: ≤0.02 mg/kg expand Show data source
Cu: ≤0.02 mg/kg expand Show data source
Fe: ≤0.1 mg/kg expand Show data source
K: ≤0.5 mg/kg expand Show data source
Li: ≤0.1 mg/kg expand Show data source
Mg: ≤0.1 mg/kg expand Show data source
Mn: ≤0.02 mg/kg expand Show data source
Mo: ≤0.1 mg/kg expand Show data source
Na: ≤0.5 mg/kg expand Show data source
Ni: ≤0.02 mg/kg expand Show data source
Pb: ≤0.1 mg/kg expand Show data source
Sr: ≤0.1 mg/kg expand Show data source
Zn: ≤0.1 mg/kg expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Empirical Formula (Hill Notation)
C3H6O expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 240397 external link
Packaging
100 mL in Sure/Seal™
5 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 110205 external link
Packaging
1 L in Sure/Seal™
View returnable container options.
100, 500 mL in Sure/Seal™
18 L in Kilo-Lab™
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 471968 external link
Packaging
165, 365 lb in Kilo-Lab™
View returnable container options.
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 24-6210 external link
Suitability
for electron microscopy

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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