2-Phenethyl acetate - CAS 103-45-7
Catalog: |
BB001138 |
Product Name: |
2-Phenethyl acetate |
CAS: |
103-45-7 |
Synonyms: |
2-phenylethyl acetate |
IUPAC Name: | 2-phenylethyl acetate |
Description: | 2-Phenethyl acetate (CAS# 103-45-7) is a useful isotopically labeled research compound. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC(=O)OCCC1=CC=CC=C1 |
InChI: | InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
InChI Key: | MDHYEMXUFSJLGV-UHFFFAOYSA-N |
Boiling Point: | 238-239 °C |
Melting Point: | -31 °C |
Flash Point: | 105°C |
Purity: | 98 % |
Density: | 1.03 g/cm3 |
Appearance: | Colorless liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008720 |
LogP: | 1.79220 |
Refractive Index: | 1.497-1.499 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H318 (78.79%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, P310, and P337+P313 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22414644 | 20120901 | Fragrance material review on phenethyl acetate | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
22396119 | 20120815 | Enzymatic synthesis of rose aromatic ester (2-phenylethyl acetate) by lipase | Journal of the science of food and agriculture |
22490328 | 20120410 | A gallotannin-rich fraction from Caesalpinia spinosa (Molina) Kuntze displays cytotoxic activity and raises sensitivity to doxorubicin in a leukemia cell line | BMC complementary and alternative medicine |
21968739 | 20120315 | Early leaf removal impact on volatile composition of Tempranillo wines | Journal of the science of food and agriculture |
22120647 | 20120301 | Comparative metabolic profiling to investigate the contribution of O. oeni MLF starter cultures to red wine composition | Journal of industrial microbiology & biotechnology |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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