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5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-en-1-one

5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-en-1-one structure

CAS No:
119-89-1
Formula:
C19H24O3
Chemical Name:
5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-en-1-one
Synonyms:
Ent2,818;Brn0253168;Piperonylcyklonen;Piperonylcyklonen[czech];5-(1,3-Benzodioxol-5-yl)-3-hexyl-2-cyclohexen-1-one;5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-en-1-one;3-Hexyl-5-(3,4-methylenedioxyphenyl)-2-cyclohexen-1-one;2-Cyclohexen-1-one,3-hexyl-5-(3,4-(methylenedioxy)phenyl)-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-en-1-one Basic Attributes

Molecular Weight：

300.398

Exact Mass：

300.17300

DSSTox ID：

DTXSID40107840

HScode：

2932999014

Characteristics

PSA：

35.53000

XLogP3：

4.75860

Density：

1.099g/cm3

Boiling Point：

423.2ºC at 760mmHg

Flash Point：

201.5ºC

Refractive Index：

1.541

Vapor Pressure：

2.28E-07mmHg at 25°C

Toxicity：

Oral-Rat LD50: 5200 mg/kg

Safety Information

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Toxicity

Toxicity class：

practically nontoxic

Computed Properties

Molecular Weight:300.4
XLogP3:4.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:300.17254462
Monoisotopic Mass:300.17254462
Topological Polar Surface Area:35.5
Heavy Atom Count:22
Complexity:415
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-en-1-one

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties
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5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-en-1-one

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