Basic information
- CAS
79814-40-7- Standard SMILES
CC(=O)O[C@@H]1CC(=O)OC1=O- InChIKey
SSWJHSASZZAIAU-SCSAIBSYSA-N- Molecular formula
- C6H6O5
- Average molar mass
- 158.11 g/mol
- Monoisotopic mass
- 158.02152329
Names & identifiers
- Preferred name
- (+)-O-Acetyl-D-malic Anhydride
- IUPAC
- [(3R)-2,5-dioxooxolan-3-yl] acetate
- English name
- (R)-(+)-2-Acetoxysuccinic anhydride
- Molecular formula
- C6H6O5
- Molecular weight
- 158.11
Names & synonyms
(+)-O-Acetyl-D-malic Anhydride(3R)-3-(Acetyloxy)dihydro-2,5-furandioneRefChem:390619616-740-879814-40-7(R)-(+)-2-Acetoxysuccinic anhydride(R)-2,5-dioxotetrahydrofuran-3-yl acetate(R)-2-O-Acetylmalic AnhydrideMFCD00145214[(3R)-2,5-dioxooxolan-3-yl] acetate(3R)-2,5-DIOXOOXOLAN-3-YL ACETATE2,5-Furandione, 3-(acetyloxy)dihydro-, (R)-
Show more names
95.0%(T)N-Chlorophthalimide >3-Chlorobutyric Acid >Cyclohexenylferrocene>d-o-acetylmalic anhydrideO-ACETYL D-MALIC ANHYDRIDE(R)-Acetoxysuccinic Anhydride(+)-Acetoxysuccinic Anhydride
(3R)-3-(Acetyloxy)dihydro-2,5-furandione; (+)-Acetoxysuccinic Anhydride; (R)-(+)-2-Acetoxysuccinic Anhydride; (R)-Acetoxysuccinic Anhydride;SCHEMBL410612orb3144112DTXSID30431121SSWJHSASZZAIAU-SCSAIBSYSA-NCS-M1384TYD-03451AKOS015837912
Database identifiers
- CAS
79814-40-7- PubChem CID
- 9815264
- DTXSID
DTXSID30431121- EC Number
- 616-740-8
- Nikkaji
- J1.440.279I
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 56 · 56-58 °C(lit.)
- alpha
- 27 · 27 º (C=1 IN CHLOROFORM)
- Boiling point
- 162 °C/14mmHg · 162°C/14mmHg(lit.)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Powder
- Appearance
- White to off-white Solid
- optical activity
- 20 · [α]20/D +27°, c = 1 in chloroform
- Water Solubility
- Reacts in water.
- Sensitive
- Moisture Sensitive
- BRN
- 130824 · 130824
- CAS DataBase Reference
- 79814 · 79814-40-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
Safety & regulation
GHS classification
GHS Classification
Danger
H228 (45.7%): Flammable solid [Danger Flammable solids]；H314 (45.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (54.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (54.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (53.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 81 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 2 (45.7%)；Skin Corr. 1A (45.7%)；Skin Irrit. 2 (54.3%)；Eye Irrit. 2 (54.3%)；STOT SE 3 (53.1%)
Safety data
- F
- 10-21
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
Chemistry & industry
Applications
Uses(R)-(+)-2-Acetoxysuccinic anhydride is used as intermediates for detergents via O-acetylmalic acid amides. Regioselective ring opening of malic acid anhydrides by carbon nucleophiles.
Suppliers67 total
山东玖玥生物科技有限公司15553333686
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
2 records
Compound notes
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