3-ethyl-3-methylpentanedioic acid
Product Information
Molecular Formula
C8H14O4
Molecular Weight
174.19
Description
3-Ethyl-3-methylpentanedioic acid is a multifunctional bioactive compound widely used for pharmacological intervention in various pathological conditions, including metabolic syndrome and diabetes. This special pharmacological activity can regulate glucose and lipid metabolism, thereby triggering a series of synergistic effects.
Synonyms
B-METHYL-B-ETHYLGLUTARIC ACID; BETA-ETHYL-BETA-METHYLGLUTARIC ACID; B-ETHYL-B-METHYLGLUTARIC ACID; 3-ETHYL-3-METHYLGLUTARIC ACID; 3-ethyl-3-methylpentanedioic acid; 3-ETHYL-3-METHYLGLUTARIC ACID 97%; Einecs 226-294-2
IUPAC Name
3-ethyl-3-methylpentanedioic acid
SMILES
CCC(C)(CC(=O)O)CC(=O)O
InChI
InChI=1S/C8H14O4/c1-3-8(2,4-6(9)10)5-7(11)12/h3-5H2,1-2H3,(H,9,10)(H,11,12)
InChI Key
XAWFHZMTJUGGEE-UHFFFAOYSA-N
Boiling Point
345.17°C (rough estimate)
Melting Point
77-81 °C(lit.)
Purity
>98.0%(T)
Density
1.162g/cm3
Appearance
White to Almost white powder to crystal
Refractive Index
1.4362 (estimate)
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
1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
174.08920892 g/mol
Monoisotopic Mass
174.08920892 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
170
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-114031744-A | Diisocyanate carbomethoxycyclohexane composition, modified composition thereof and preparation method | 2021-11-29 |
| CN-112831033-A | Method for synthesizing aromatic-aliphatic copolyester without catalyst and product thereof | 2021-01-05 |
| JP-6960036-B1 | Neutral dampening water composition for offset printing and concentrated dampening water composition | 2020-11-26 |
| CN-111978528-A | Method for synthesizing aromatic polyester without catalyst and product thereof | 2020-09-02 |
| CN-111978528-B | Method for synthesizing aromatic polyester without catalyst and product thereof | 2020-09-02 |
| WO-2022050278-A1 | Curable resin composition, cured object, layered product, method for producing cured object, semiconductor device, and photobase generator | 2020-09-01 |
| JP-2022041899-A | Resin composition, resin film and display device | 2020-08-31 |
| JP-2022041900-A | Laminates and display devices | 2020-08-31 |
| JP-2022041901-A | Laminates and display devices | 2020-08-31 |
| WO-2022044822-A1 | Resin composition, resin film, and display device | 2020-08-31 |
