3-Methyladipic acid
Synonym(s):3-Methylhexanedioic acid
- CAS NO.：3058-01-3
- Empirical Formula: C7H12O4
- Molecular Weight: 160.17
- MDL number: MFCD00002804
- EINECS: 221-293-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-18 18:48:51
What is 3-Methyladipic acid?
Chemical properties
white fine crystalline powder
Definition
ChEBI: An alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3.
Synthesis Reference(s)
The Journal of Organic Chemistry, 40, p. 1488, 1975 DOI: 10.1021/jo00898a024
Properties of 3-Methyladipic acid
| Melting point: | 100-102 °C (lit.) |
| Boiling point: | 230 °C/30 mmHg (lit.) |
| Density | 1.197 |
| refractive index | 1.4336 (estimate) |
| Flash point: | 171 °C |
| storage temp. | Store at -20°C |
| solubility | DMF: 14 mg/ml; DMSO: 12 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): 5 mg/ml |
| pka | 4.66±0.10(Predicted) |
| form | powder to crystal |
| color | White to Almost white |
| Water Solubility | 198.7g/L(25.9 ºC) |
| CAS DataBase Reference | 3058-01-3(CAS DataBase Reference) |
Safety information for 3-Methyladipic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Methyladipic acid
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