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123-62-6 molecular structure
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propanoyl propanoate

ChemBase ID: 89742
Molecular Formular: C6H10O3
Molecular Mass: 130.1418
Monoisotopic Mass: 130.06299418
SMILES and InChIs

SMILES:
O(C(=O)CC)C(=O)CC
Canonical SMILES:
CCC(=O)OC(=O)CC
InChI:
InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3
InChIKey:
WYVAMUWZEOHJOQ-UHFFFAOYSA-N

Cite this record

CBID:89742 http://www.chembase.cn/molecule-89742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propanoyl propanoate
IUPAC Traditional name
propionic anhydride
Synonyms
Propionic anhydride
Propionic anhydride
Propanoyl propanoate
Propanoic anhydride 97%
Propanoic anhydride
Propionic anhydride
PROPIONIC ANHYDRIDE, PRACT
初油酸酐
丙酸酐
CAS Number
123-62-6
EC Number
204-638-2
MDL Number
MFCD00009303
Beilstein Number
507066
Merck Index
147826
PubChem SID
24898599
24854413
162076598
PubChem CID
31263

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0885522  LogD (pH = 7.4) 1.0885522 
Log P 1.0885522  Molar Refractivity 31.3358 cm3
Polarizability 12.67607 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-43 °C(lit.) expand Show data source
-45°C expand Show data source
-45°C expand Show data source
Boiling Point
166-168°C expand Show data source
167 °C(lit.) expand Show data source
167°C expand Show data source
Flash Point
165.2 °F expand Show data source
63°C expand Show data source
63°C(145°F) expand Show data source
74 °C expand Show data source
Auto Ignition Point
545 °F expand Show data source
Density
1.010 g/mL at 20 °C expand Show data source
1.012 expand Show data source
1.015 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.404 expand Show data source
1.4040 expand Show data source
n20/D 1.404 expand Show data source
n20/D 1.404(lit.) expand Show data source
Vapor Pressure
10 mmHg ( 57.7 °C) expand Show data source
Vapor Density
4.5 (vs air) expand Show data source
Storage Warning
Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
RTECS
UF9100000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2496 expand Show data source
UN2496 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
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
Explode Limits
11.9 % expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H227 expand Show data source
GHS Precautionary statements
P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
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 2496 8/PG 3 expand Show data source
Purity
≥96.0% (NT) expand Show data source
≥99% expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(CH3CH2CO)2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05217159 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - P51478 external link
Packaging
1 kg in glass bottle
500 g in glass bottle
Sigma Aldrich - 240311 external link
Packaging
50 g in glass bottle
Sigma Aldrich - 81942 external link
Other Notes
Sales restrictions may apply

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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