1,2-Octanediol - CAS 1117-86-8
Catalog: |
BB002806 |
Product Name: |
1,2-Octanediol |
CAS: |
1117-86-8 |
Synonyms: |
octane-1,2-diol |
IUPAC Name: | octane-1,2-diol |
Description: | 1,2-Octanediol (CAS# 1117-86-8) is a novel surfactant used in the treatment of head louse. Also used in the cosmetics industry in the formulations of sunscreen gels and eye make-up. |
Molecular Weight: | 146.23 |
Molecular Formula: | C8H18O2 |
Canonical SMILES: | CCCCCCC(CO)O |
InChI: | InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3 |
InChI Key: | AEIJTFQOBWATKX-UHFFFAOYSA-N |
Boiling Point: | 131-132 °C (10 mmHg) |
Melting Point: | 36-38 °C |
Flash Point: | 138°C |
Purity: | 98 % |
Density: | 0.914 g/cm3 |
Appearance: | Colorless to white low melting solid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00010738 |
LogP: | 1.31000 |
Refractive Index: | 1.452 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H302 (18.76%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, P337+P313, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3677244-A2 | Compositions comprising multilamellar vesicles | 20200204 |
US-2021186858-A1 | Low irritation skincare cosmetic composition | 20191224 |
WO-2021123860-A1 | Water-in-oil emulsified cosmetic composition | 20191220 |
EP-3838891-A1 | Aldimines and uses thereof | 20191219 |
WO-2021122594-A1 | Aldimines and uses thereof | 20191219 |
PMID | Publication Date | Title | Journal |
23064773 | 20120901 | Safety assessment of 1,2-glycols as used in cosmetics | International journal of toxicology |
22523593 | 20120101 | 1,2-Octanediol, a novel surfactant, for treating head louse infestation: identification of activity, formulation, and randomised, controlled trials | PloS one |
22649749 | 20120101 | Acylation of Chiral Alcohols: A Simple Procedure for Chiral GC Analysis | Journal of analytical methods in chemistry |
22312699 | 20111201 | Resveratrol nanosuspensions: interaction of preservatives with nanocrystal production | Die Pharmazie |
21585401 | 20111001 | The influence of alkane chain length on the skin irritation potential of 1,2-alkanediols | International journal of cosmetic science |
Complexity: | 64.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.130679813 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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