2,4-Dimethylglutaric acid
Basic information
- CAS
2121-67-7- Standard SMILES
CC(CC(C)C(=O)O)C(=O)O- InChIKey
VIWYMIDWAOZEAZ-UHFFFAOYSA-N- Molecular formula
- C7H12O4
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.07355886
Names & identifiers
- Preferred name
- 2,4-Dimethylglutaric acid
- IUPAC
- 2,4-dimethylpentanedioic acid
- English name
- 2,4-DIMETHYLGLUTARIC ACID
- Molecular formula
- C7H12O4
- Molecular weight
- 160.17
Names & synonyms
2,4-dimethylpentanedioic acid2,4-Dimethylglutaric acidVIWYMIDWAOZEAZ-UHFFFAOYSA-EINECS 218-330-0NSC 51706NSC 61980RefChem:443782218-330-0InChI=1/C7H12O4/c1-4(6(8)9)3-5(2)7(10)11/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)2121-67-7MFCD00002660Pentanedioic acid, 2,4-dimethyl-
Show more names
2,4-D ACID, 1X1ML, ACN, 5000UG/ML2,4-Dimethylglutaric acid, mixture of DL and meso2,4-DIMETHYLGLUTARIC ACID 98+% MIXTURE OF DL AND MESO2,4-Dimethylglutaric acid, mixture of DL and meso, 98+%
MixtureofDLandmesoNSC619802,4-dimethylpentanedioicaci2,4-dimethylpentanedioicacidSCHEMBL443229SCHEMBL6632097DTXSID40875693CAA12167
Database identifiers
- CAS
2121-67-7- PubChem CID
- 97870
- DTXSID
DTXSID40875693- EC Number
- 218-330-0
- Nikkaji
- J150.048A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
Physical DescriptionLight beige powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 104 · 104-108 °C
- Boiling point
- 328.8 °C · 328.8°C (rough estimate)
- Density
- 1.3681 · 1.3681 (rough estimate)
- refractive index
- 1.4328 · 1.4328 (estimate)
- storage temp.
- Store at room temperature
- pka
- 4.31 · 4.31±0.21(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 2121 · 2121-67-7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Glutaric acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29171990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
3 records
Compound notes
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