Octadecanedioic acid - CAS 871-70-5
Catalog: |
BB038309 |
Product Name: |
Octadecanedioic acid |
CAS: |
871-70-5 |
Synonyms: |
1,18-Octadecanedioic acid; 1,16-Hexadecanedicarboxylic acid; Octadecane-1,18-dioic acid |
IUPAC Name: | octadecanedioic acid |
Description: | Octadecanedioic acid (CAS# 871-70-5) is one of the fine particle pollutant emissions from the fireplace combustion of woods grown in Southern USA. |
Molecular Weight: | 314.5 |
Molecular Formula: | C18H34O4 |
Canonical SMILES: | C(CCCCCCCCC(=O)O)CCCCCCCC(=O)O |
InChI: | InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22) |
InChI Key: | BNJOQKFENDDGSC-UHFFFAOYSA-N |
Boiling Point: | 480.9±18.0 ℃ at 760 mmHg |
Melting Point: | 125 ℃ |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.0±0.1 g/cm3 |
Appearance: | White to off-white powder |
MDL: | MFCD00142369 |
LogP: | 5.39720 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
20566053 | 20110101 | Poly(ester anhydride)/mPEG amphiphilic block co-polymer nanoparticles as delivery devices for paclitaxel | Journal of biomaterials science. Polymer edition |
20000460 | 20100111 | Two-step biocatalytic route to biobased functional polyesters from omega-carboxy fatty acids and diols | Biomacromolecules |
18647478 | 20080701 | Quantitative determination of octadecenedioic acid in human skin and transdermal perfusates by gas chromatography-mass spectrometry | Journal of chromatographic science |
17137348 | 20061201 | Hexadecanedionic acid-sepharose 4B: A new tool for preparation of albumin-depleted plasma | Journal of proteome research |
12726718 | 20030701 | Poly(ether ester amide)s for tissue engineering | Biomaterials |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 314.24570956 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 314.24570956 |
Rotatable Bond Count: | 17 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.4 |
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