mono-Methyl adipate - CAS 627-91-8
Catalog: |
BB031802 |
Product Name: |
mono-Methyl adipate |
CAS: |
627-91-8 |
Synonyms: |
6-methoxy-6-oxohexanoic acid |
IUPAC Name: | 6-methoxy-6-oxohexanoic acid |
Description: | mono-Methyl adipate (CAS# 627-91-8) is a useful synthetic intermediate. It can be used to prepare 1,3,4-thiadiazole hydroxamic acid derivatives as novel histone deacetylase inhibitors which show potential antitumor activities. It can be also used to synthesize mannose-linked biphenylylacetic acid derivatives as novel inhibitors of selectin-mediated cell adhesion. |
Molecular Weight: | 160.17 |
Molecular Formula: | C7H12O4 |
Canonical SMILES: | COC(=O)CCCCC(=O)O |
InChI: | InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9) |
InChI Key: | UOBSVARXACCLLH-UHFFFAOYSA-N |
Boiling Point: | 162 °C (10 mmHg) |
Melting Point: | 8-9 °C |
Purity: | 95 % |
Density: | 1.081 g/cm3 |
Appearance: | Clear liquid |
Storage: | 2-8 °C |
MDL: | MFCD00004418 |
LogP: | 0.80440 |
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-113416969-A | Electrochemical synthesis method of dimethyl sebacate | 20210618 |
CN-111793183-A | Solid-phase polyurethane composite catalyst and preparation method thereof | 20200715 |
WO-2021207691-A1 | Phthalocyanine dye compounds, conjugates and methods of use thereof | 20200410 |
CN-111254457-A | Electrochemical synthesis method of aromatic carboxylic acid and alkyl carboxylic acid | 20200331 |
CN-111254457-B | Electrochemical synthesis method of aromatic carboxylic acid and alkyl carboxylic acid | 20200331 |
PMID | Publication Date | Title | Journal |
19430194 | 20090101 | Oxidation of cyclohexanediol derivatives with 12-tungstophosphoric acid-hydrogen peroxide system | Journal of oleo science |
16645991 | 20060101 | Matrix-assisted laser desorption/ionization time-of-flight/time-of-flight tandem mass spectra of poly(butylene adipate) | Rapid communications in mass spectrometry : RCM |
Complexity: | 141 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.07355886 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS