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108-24-7 molecular structure
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acetyl acetate

ChemBase ID: 104081
Molecular Formular: C4H6O3
Molecular Mass: 102.08864
Monoisotopic Mass: 102.03169405
SMILES and InChIs

SMILES:
CC(=O)OC(=O)C
Canonical SMILES:
CC(=O)OC(=O)C
InChI:
InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3
InChIKey:
WFDIJRYMOXRFFG-UHFFFAOYSA-N

Cite this record

CBID:104081 http://www.chembase.cn/molecule-104081.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
acetyl acetate
IUPAC Systematic name
ethanoic anhydride
IUPAC Traditional name
acetic anhydride
Synonyms
Acetic anhydride, ACS
Ethanoyl ethanoate
Acetic acid anhydride
Acetyl acetate
Acetyl oxide
Cap A (acetic anhydride 10% in THF)
Cap A (acetic anhydride 12% in acetonitrile)
Acetic anhydride solution
Cap A (acetic anhydride 10% in THF/pyridine 8 : 1)
Cap A (acetic anhydride 10% in THF/lutidine 8 : 1)
Acetic Acid, Anhydride
Acetic Oxide
Acetyl Anhydride
Anhydride Acetique
ACETIC ANHYDRIDE
Acetic anhydride
醋酐, ACS
醋酸酐
乙酸酐 溶液
Cap A(10% 乙酸酐溶于 THF)
Cap A(12% 乙酸酐溶于乙腈)
乙酸酐
CAS Number
108-24-7
EC Number
203-564-8
MDL Number
MFCD00008705
Beilstein Number
385737
Merck Index
1456
PubChem SID
24846953
162092426
24878429
24889455
24891084
24860032
24854587
24859248
PubChem CID
7918
CHEBI ID
36610
Chemspider ID
7630
Unique Ingredient Identifier
2E48G1QI9Q
Wikipedia Title
Acetic_anhydride

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.31251943  LogD (pH = 7.4) -0.31251943 
Log P -0.31251943  Molar Refractivity 22.082 cm3
Polarizability 9.04463 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)
Solubility
2.6 g/100 mL, see text in water expand Show data source
Apperance
clear liquid expand Show data source
Liquid expand Show data source
Melting Point
-73 °C expand Show data source
-73 °C(lit.) expand Show data source
-73.1°C expand Show data source
-73°C expand Show data source
Boiling Point
138 - 140.5 °C at 1013 hPa expand Show data source
138-140 °C(lit.) expand Show data source
138-140°C expand Show data source
139.8°C expand Show data source
Flash Point
-.4 °F expand Show data source
1.4 °F expand Show data source
12 °C expand Show data source
120.2 °F expand Show data source
-17 °C expand Show data source
-18 °C expand Show data source
49 °C expand Show data source
49°C(120°F) expand Show data source
53.6 °F expand Show data source
58°C expand Show data source
Auto Ignition Point
316 °C expand Show data source
330 °C expand Show data source
629 °F expand Show data source
Density
0.819 g/mL at 20 °C expand Show data source
0.906 g/mL at 20 °C expand Show data source
0.911 g/mL at 20 °C expand Show data source
0.917 g/mL at 20 °C expand Show data source
1.08 g/mL(lit.) expand Show data source
1.081 g/mL at 20 °C expand Show data source
1.082 expand Show data source
1.082 g cm-3, liquid expand Show data source
1.082 g/cm3 at 20 °C expand Show data source
Refractive Index
1.3900 expand Show data source
1.3901 expand Show data source
n20/D 1.390 expand Show data source
n20/D 1.390(lit.) expand Show data source
Vapor Pressure
10 mmHg ( 36 °C) expand Show data source
4 hPa at 20 °C expand Show data source
4 mmHg ( 20 °C) expand Show data source
Vapor Density
3.5 (air = 1) expand Show data source
3.5 (vs air) expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
AK1925000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
X expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1715 expand Show data source
2924 expand Show data source
UN1715 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
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
Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Australian Hazchem
2W expand Show data source
Risk Statements
10-20/22-34 expand Show data source
11-19-20/21/22-37/38-41 expand Show data source
11-19-37/38-41 expand Show data source
11-20/21/22-37/38-41 expand Show data source
R:10-20/22-34 expand Show data source
R10, R20/22, R34 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
16-26-39 expand Show data source
26-36/37/39-45 expand Show data source
S:26-45-36/37/39 expand Show data source
S1/2, S26, S36/37/39, S45 expand Show data source
EU Classification
CF1 expand Show data source
EU Hazard Identification Number
8A expand Show data source
Emergency Response Guidebook(ERG) Number
137 expand Show data source
TSCA Listed
expand Show data source
EU Index
607-008-00-9 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
2
2
1
W
expand Show data source
Explode Limits
10.3 % expand Show data source
2.7–10.3% expand Show data source
GHS Hazard statements
H225-H302-H315-H318-H331-H335 expand Show data source
H225-H315-H318-H335 expand Show data source
H226-H302-H314-H332 expand Show data source
H314-H226-H302-H332 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P261-P280-P305 + P351 + P338 expand Show data source
P210-P261-P280-P305 + P351 + P338-P311 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 1715 8/PG 2 expand Show data source
UN 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Purity
≥93.0% expand Show data source
≥98% expand Show data source
≥98.0% expand Show data source
≥98.0% (GC) expand Show data source
≥99% expand Show data source
≥99% (GC) expand Show data source
≥99.0% expand Show data source
≥99.0% (GC) expand Show data source
≥99.0% (NT) expand Show data source
≥99.5% (GC) expand Show data source
97+% expand Show data source
99.5% expand Show data source
99+% expand Show data source
Grade
ACS reagent expand Show data source
for DNA synthesis expand Show data source
for GC derivatization expand Show data source
JIS special grade expand Show data source
Lonza quality expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
reagent grade expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
pkg of 10 × 2 mL expand Show data source
Suitability
passes test for reaction against H2SO4 expand Show data source
Evaporation Residue
≤0.003% expand Show data source
Impurities
≤0.003% non-volatile matter expand Show data source
≤0.005% water expand Show data source
≤0.01% KMnO4 red. matter (as O) expand Show data source
≤0.01% water expand Show data source
≤0.5% acetic acid expand Show data source
MnO4- reducers, passes test expand Show data source
Cation Traces
Al: ≤0.5 mg/kg expand Show data source
B: ≤0.02 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: ≤0.05 mg/kg expand Show data source
Cr: ≤0.1 mg/kg expand Show data source
Cu: ≤0.02 mg/kg expand Show data source
Fe: ≤0.1 mg/kg expand Show data source
Fe: ≤0.5 mg/kg expand Show data source
Fe: ≤5 ppm expand Show data source
heavy metals: ≤2 ppm 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
Ni: ≤0.1 mg/kg expand Show data source
Pb: ≤0.1 mg/kg expand Show data source
Sn: ≤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
Zn: ≤0.2 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤2 mg/kg expand Show data source
chloride (Cl-): ≤5 ppm expand Show data source
phosphate (PO43-): ≤0.001% expand Show data source
phosphate (PO43-): ≤10 mg/kg expand Show data source
sulfate (SO42-): ≤5 mg/kg expand Show data source
sulfate (SO42-): ≤5 ppm expand Show data source
Derivatization reagent for
Acetylations expand Show data source
Acylations expand Show data source
Silylations expand Show data source
Linear Formula
(CH3CO)2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02154680 external link
1 ml = approx. 1.08 g
Sigma Aldrich - 691275 external link
Analysis Note
KMnO4 test ≤40 mL (0.1% KMnO4 per 20 mL)
Packaging
25 kg in comp drum
Sigma Aldrich - 95193 external link
Application
Reagent used in the phosphite triester method of oligonucleotide synthesis for the capping of the remaining free 5′-hydroxyl groups by acetylation. Reagent is suitable for use on ABI, Beckman synthesizers.
Preparation Note
filtered with a 0.1 μm filter
Sigma Aldrich - 45830 external link
Other Notes
For the unspecific acetylation of functional groups (NH2, OH and SH) in proteins1; For the specific blocking of side chain amino groups2; Review3
Sigma Aldrich - 30908 external link
Application
Reagent used in the phosphite triester method of oligonucleotide synthesis for the capping of the remaining free 5’-hydroxyl groups by acetylation. Reagent is suitable for use on Biosearch 8000, Expedite, Cyclone synthesizers.
Preparation Note
filtered with a 0.1 μm filter
Sigma Aldrich - 49929 external link
Application
Reagent used in the phosphite triester method of oligonucleotide synthesis for the capping of the remaining free 5’-hydroxyl groups by acetylation. Reagent is suitable for use on ABI synthesizers.
Preparation Note
filtered with a 0.1 μm filter
Sigma Aldrich - 45840 external link
Other Notes
Sales restrictions may apply
Sigma Aldrich - 11659 external link
Application
Reagent used in the phosphite triester method of oligonucleotide synthesis for the capping of the remaining free 5’-hydroxyl groups by acetylation. Reagent is suitable for use on Milligen 7500 synthesizers.
Preparation Note
filtered with a 0.1 μm filter
Sigma Aldrich - 539996 external link
Packaging
1, 4 kg in glass bottle
18 kg in poly drum
25 g in glass bottle
Sigma Aldrich - 320102 external link
Packaging
1 L in glass bottle
1 kg in PVC coated
100, 500 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - A6404 external link
包装
1, 2.5 L in glass bottle
200, 500 mL in glass bottle
Sigma Aldrich - 242845 external link
Packaging
1, 6×1, 3 kg in glass bottle
5, 100 g in glass bottle
Sigma Aldrich - 33085 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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