2-Pentyl Acetate (>90% purity) - CAS 626-38-0
Catalog: |
BB076511 |
Product Name: |
2-Pentyl Acetate (>90% purity) |
CAS: |
626-38-0 |
Synonyms: |
(±)-2-Pentyl Acetate; 1-Methylbutyl Acetate; 2-Acetoxypentane; Pent-2-yl Ethanoate; sec-Amyl Ethanoate; 2- Pentanol Acetate |
IUPAC Name: | pentan-2-yl acetate |
Description: | 2-Pentyl Acetate has a weak banana odor. 2-Pentyl Acetate is an irritant.Environmental contaminants; food contaminants. |
Molecular Weight: | 130.18 |
Molecular Formula: | C7H14O2 |
Canonical SMILES: | CCCC(C)OC(=O)C |
InChI: | InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3 |
InChI Key: | GQKZRWSUJHVIPE-UHFFFAOYSA-N |
Boiling Point: | 271.4 °F at 760 mmHg |
Melting Point: | -95.44 °F |
Flash Point: | 89 °F |
Density: | 0.861 to 0.866 at 68 °F |
Solubility: | Chloroform (Sparingly), Methanol (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C, Inert atmosphere |
LogP: | 2.26 |
References: | Dong, T., et al. J. Hortic. Sci. Biotechnol. 89, 441 (2014); Xu, Z., et al. Food Bioprocess Tech 9, 407 (2016). |
Refractive Index: | 1.369-1.400 |
Stability: | heat contributes/ to instability |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Complexity: | 88.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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