2,2-Dipropylmalonic acid
Product Information
Molecular Formula
C9H16O4
Molecular Weight
188.221
Description
2,2-Dipropylmalonic acid is an indispensable pharmaceutical intermediate in biomedical applications. It promotes the synthesis of a variety of drugs, including neurological abnormalities, metabolic abnormalities, and cardiovascular complications.
Synonyms
Heptane-4,4-dicarboxylic Acid
IUPAC Name
2,2-dipropylpropanedioic acid
SMILES
CCCC(CCC)(C(=O)O)C(=O)O
InChI
InChI=1S/C9H16O4/c1-3-5-9(6-4-2,7(10)11)8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)
InChI Key
DIRSQLKNZQKDBK-UHFFFAOYSA-N
Boiling Point
345.8±25.0 °C(Predicted)
Melting Point
154-156°C
Purity
>99.0%(GC)(T)
Density
1.131±0.06 g/cm3(Predicted)
Appearance
White to Almost white powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
2.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Exact Mass
188.10485899 g/mol
Monoisotopic Mass
188.10485899 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
176
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113372691-A | Resin composition, reinforcing liquid, reinforcing layer, and optical protective film | 2021-06-23 |
| JP-6960036-B1 | Neutral dampening water composition for offset printing and concentrated dampening water composition | 2020-11-26 |
| CN-112174169-A | Method for recovering potassium chloride from high-salt valproate wastewater | 2020-11-06 |
| CN-112174169-B | Method for recovering potassium chloride from high-salt valproate wastewater | 2020-11-06 |
| CN-112142588-A | Recovery of 2-propylmalonic acid and method for preparing valproic acid by using same | 2020-10-22 |
| CN-112142588-B | Recovery of 2-propylmalonic acid and method for preparing valproic acid by using same | 2020-10-22 |
| JP-2022038777-A | Adhesive composition, cured product and adhesive sheet | 2020-08-27 |
| WO-2021261519-A1 | Curable composition, urethane resin, and heat dissipation member | 2020-06-26 |
| JP-2022001611-A | Room temperature curable organopolysiloxane compositions and articles | 2020-06-19 |
| JP-2021187820-A | Hydrolyzable organosilane compound and its production method | 2020-06-05 |
