3,3-Dimethylglutaric acid - CAS 4839-46-7
Catalog: |
BB026534 |
Product Name: |
3,3-Dimethylglutaric acid |
CAS: |
4839-46-7 |
Synonyms: |
3,3-dimethylpentanedioic acid |
IUPAC Name: | 3,3-dimethylpentanedioic acid |
Description: | 3,3-Dimethylglutaric acid (CAS# 4839-46-7) is a versatile reactant used in the synthesis of (+)-Hirsutene via catalytic asymmetric transannular aldolization. |
Molecular Weight: | 160.17 |
Molecular Formula: | C7H12O4 |
Canonical SMILES: | CC(C)(CC(=O)O)CC(=O)O |
InChI: | InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11) |
InChI Key: | DUHQIGLHYXLKAE-UHFFFAOYSA-N |
Boiling Point: | 290 °C |
Melting Point: | 103.5 °C |
Density: | 1.42 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00002716 |
LogP: | 0.96200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112795040-A | Film with nanoscale pore channels and preparation method and application thereof | 20210115 |
CN-112795040-B | Film with nanoscale pore channels and preparation method and application thereof | 20210115 |
CN-112831033-A | Method for synthesizing aromatic-aliphatic copolyester without catalyst and product thereof | 20210105 |
CN-112552495-A | Low-temperature fast-curing polyester resin and powder coating prepared from same and used for coiled material | 20201210 |
KR-20200094125-A | Solid dispersion for curing epoxy resin, epoxy resin composition comprising the dispersion and cured product thereof | 20200729 |
PMID | Publication Date | Title | Journal |
17497019 | 20060101 | Synthesis, Superoxide Dismutase Mimetic and Anticancer Activities of Metal Complexes of 2,2-Dimethylpentanedioic Acid(2dmepdaH(2)) and 3,3-Dimethylpentanedioic acid(3dmepdaH(2)): X-Ray Crystal Structures of [Cu(3dmepda)(bipy)](2). 6H(2)O and [Cu(2dmepda)(bipy)(EtOH)](2). 4EtOH (bipy = 2,2'Bipyridine) | Bioinorganic chemistry and applications |
16033257 | 20050728 | Dicarboxylic acid azacycle l-prolyl-pyrrolidine amides as prolyl oligopeptidase inhibitors and three-dimensional quantitative structure-activity relationship of the enzyme-inhibitor interactions | Journal of medicinal chemistry |
12799642 | 20030616 | Vitamin E analogues as inducers of apoptosis: structure-function relation | British journal of cancer |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS