1,10-Decanediol - CAS 112-47-0
Catalog: |
BB002982 |
Product Name: |
1,10-Decanediol |
CAS: |
112-47-0 |
Synonyms: |
decane-1,10-diol |
IUPAC Name: | decane-1,10-diol |
Description: | 1,10-Decanediol (CAS# 112-47-0) is a substance used in the pharmaceutical study on the composition of essential oils obtained from myrrh and frankincense and their potential anticancer activities. Also used as a reagent in the biological study of modified oligonucleotide with in vivo antitumoral activity. |
Molecular Weight: | 174.28 |
Molecular Formula: | C10H22O2 |
Canonical SMILES: | C(CCCCCO)CCCCO |
InChI: | InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2 |
InChI Key: | FOTKYAAJKYLFFN-UHFFFAOYSA-N |
Boiling Point: | 297 °C |
Melting Point: | 71-75 °C |
Purity: | 97 % |
Density: | 1.08 g/cm3 |
Appearance: | White crystals or powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004749 |
LogP: | 2.09180 |
Publication Number | Title | Priority Date |
US-10934384-B1 | Polyurethane elastomer compositions, and processes thereof | 20200909 |
US-10934385-B1 | Polyurethane elastomers, bio-additive foam compositions | 20200909 |
US-11007134-B1 | Ceramide containing capsules, ceramide compositions, and cosmetic compositions thereof | 20200331 |
US-11028217-B1 | Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols | 20200313 |
US-10767004-B1 | Tricyclodecane dimethanol composition and uses thereof | 20200113 |
PMID | Publication Date | Title | Journal |
21291287 | 20110321 | Structure-activity analysis of diffusible lipid electrophiles associated with phospholipid peroxidation: 4-hydroxynonenal and 4-oxononenal analogues | Chemical research in toxicology |
21106378 | 20110101 | Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl-4(1H)-quinolones | Bioorganic & medicinal chemistry |
21568846 | 20110101 | Interaction of poly(ADP-ribose) polymerase 1 with apurinic/apyrimidinic sites within clustered DNA damage | Biochemistry. Biokhimiia |
22016604 | 20110101 | Chemoenzymatic synthesis and chemical recycling of poly(ester-urethane)s | International journal of molecular sciences |
22649385 | 20110101 | Biosynthetic Pathway for Sex Pheromone Components Produced in a Plusiinae Moth, Plusia festucae | Frontiers in endocrinology |
Complexity: | 64.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.16197994 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.16197994 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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