3',4'-(Methylenedioxy)acetophenone - CAS 3162-29-6
Catalog: |
BB021002 |
Product Name: |
3',4'-(Methylenedioxy)acetophenone |
CAS: |
3162-29-6 |
Synonyms: |
1-(1,3-benzodioxol-5-yl)ethanone |
IUPAC Name: | 1-(1,3-benzodioxol-5-yl)ethanone |
Description: | 3',4'-(Methylenedioxy)acetophenone (CAS# 3162-29-6) is a useful research chemical. |
Molecular Weight: | 164.16 |
Molecular Formula: | C9H8O3 |
Canonical SMILES: | CC(=O)C1=CC2=C(C=C1)OCO2 |
InChI: | InChI=1S/C9H8O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3 |
InChI Key: | BMHMKWXYXFBWMI-UHFFFAOYSA-N |
Boiling Point: | 152-155 ℃ / 15 mmHg |
Density: | 1.242 g/cm3 |
MDL: | MFCD00005831 |
LogP: | 1.61790 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214283-A | Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application | 20210412 |
CN-111253361-A | Preparation method of 3, 4-methylenedioxyphenol | 20200407 |
US-2021299123-A1 | Survivin-targeting anti-tumor agents and uses thereof | 20200306 |
WO-2021161083-A1 | An efficient process for preparation of acyl derivatives of alkylenedioxybenzenes | 20200213 |
CN-111116375-A | Method for preparing primary amine by catalyzing aldehyde ketone compound through reductive amination | 20191213 |
PMID | Publication Date | Title | Journal |
21295929 | 20110615 | Chemical signature of ecstasy volatiles by comprehensive two-dimensional gas chromatography | Forensic science international |
21579387 | 20100508 | (2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
21579805 | 20100116 | 1-(1,3-Benzodioxol-5-yl)ethanone | Acta crystallographica. Section E, Structure reports online |
21581358 | 20081120 | (E)-1-(1,3-Benzodioxol-5-yl)-3-(3-bromo-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
11371019 | 20010301 | Propolis from Chilean matorral hives | Zeitschrift fur Naturforschung. C, Journal of biosciences |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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