4-Methoxybenzyl Acetate - CAS 104-21-2
Catalog: |
BB001356 |
Product Name: |
4-Methoxybenzyl Acetate |
CAS: |
104-21-2 |
Synonyms: |
acetic acid (4-methoxyphenyl)methyl ester; (4-methoxyphenyl)methyl acetate |
IUPAC Name: | (4-methoxyphenyl)methyl acetate |
Description: | 4-Methoxybenzyl Acetate (CAS# 104-21-2) is a useful research chemical compound. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC(=O)OCC1=CC=C(C=C1)OC |
InChI: | InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3 |
InChI Key: | HFNGYHHRRMSKEU-UHFFFAOYSA-N |
Boiling Point: | 235 °C |
Melting Point: | 84°C |
Flash Point: | 135°C |
Density: | 1.1 g/cm3 |
Solubility: | 782.9 mg/L at 25 °C (est) |
Appearance: | Colourless to pale yellow liquid with a floral, fruity, balsamic odour |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00048211 |
LogP: | 1.75830 |
Refractive Index: | 1.512-1.514 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H315 (92.37%): 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 |
CN-112841697-A | Processing method for improving applicability of sun-cured yellow tobacco formula | 20210223 |
JP-2021066754-A | Pharmaceutical composition, incense stick for pest control, and method for enhancing diffusion of insecticidal components using them | 20210205 |
CN-111849637-A | Heating non-burning cigarette essence capable of increasing mouth pungent and sweet taste and application thereof | 20200804 |
CN-111778774-A | Fruity cigarette paper and preparation method thereof | 20200713 |
EP-3900696-A1 | Encapsulated fragrance composition | 20200421 |
PMID | Publication Date | Title | Journal |
22414654 | 20120901 | Fragrance material review on anisyl acetate | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
22417777 | 20120901 | Fragrance material review on p-anisyl acetate | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
21339711 | 20110221 | Effects of bentonite on p-methoxybenzyl acetate: a theoretical model for oligomerization via an electrophilic-substitution mechanism | Molecules (Basel, Switzerland) |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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