Octyl acetate - CAS 112-14-1
Catalog: |
BB002884 |
Product Name: |
Octyl acetate |
CAS: |
112-14-1 |
Synonyms: |
octyl acetate |
Application: |
flavor |
IUPAC Name: | octyl acetate |
Description: | Octyl acetate, or octyl ethanoate, is an organic compound with the formula CH3(CH2)7O2CCH3. It is classified as an esterthat is formed from 1-octanol (octyl alcohol) and acetic acid. It is found in oranges, grapefruits, and other citrus products. |
Molecular Weight: | 172.26 |
Molecular Formula: | C10H20O2 |
Canonical SMILES: | CCCCCCCCOC(=O)C |
InChI: | InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3 |
InChI Key: | YLYBTZIQSIBWLI-UHFFFAOYSA-N |
Boiling Point: | 211 °C |
Melting Point: | -38.5 °C |
Flash Point: | 86°C |
Purity: | > 98 % |
Density: | 0.868 g/cm3 |
Solubility: | Sealed in dry, Room Temperature |
Appearance: | Clear colourless liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00009562 |
LogP: | 2.91000 |
Refractive Index: | 1.4175-1.4195 |
Vapor Pressure: | 0.4 [mmHg] |
Publication Number | Title | Priority Date |
US-2021017554-A1 | Enzymatic Method for Selective Catalytic Preparation of 4-Octyl Itaconate | 20200311 |
EP-3842489-A1 | Heterophasic propylene polymer material and use of the same | 20191224 |
US-2021189110-A1 | Heterophasic propylene polymer material and use of the same | 20191224 |
WO-2021122684-A1 | Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals | 20191220 |
WO-2021123811-A1 | Bio-based production of toxic chemicals | 20191220 |
PMID | Publication Date | Title | Journal |
22785378 | 20121101 | The impact of impurities in various crude A. annua extracts on the analysis of artemisinin by liquid chromatographic methods | Journal of pharmaceutical and biomedical analysis |
22908589 | 20120701 | Chemical composition and antimicrobial activity of essential oil of Heracleum rigens | Natural product communications |
21981004 | 20120501 | Evaluation of the use of Syzygium cumini fruit extract as an antioxidant additive in orange juice and its sensorial impact | International journal of food sciences and nutrition |
22860456 | 20120501 | [Determination of alpha-pinene and octyl acetate contents in Boswellia serrata] | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica |
22417835 | 20120401 | Segmental hair analysis for 11-nor-Δ⁹-tetrahydrocannabinol-9-carboxylic acid and the patterns of cannabis use | Journal of analytical toxicology |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.146329876 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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