Futoenone | CAS No. 19913-01-0

Futoenone

Basic Information

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CAS Number

19913-01-0

Molecular Formula

C20H20O5

Molecular Weight

340.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

197 ºC

SMILES

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CC1C(CC2CC13C=C(C(=O)C=C3O2)OC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20O5/c1-11-14(12-3-4-16-17(5-12)24-10-23-16)6-13-8-20(11)9-18(22-2)15(21)7-19(20)25-13/h3-5,7,9,11,13-14H,6,8,10H2,1-2H3/t11-,13+,14+,20-/m1/s1

InChIKey

SXHVHWXETMBKPP-KXXATPMCSA-N

LogP

3.310900000000002

Topological Polar Surface Area

53.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

653

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Futoenone
(2S,4S,5R,5aS)-4-(benzo[d][1,3]dioxol-5-yl)-7-methoxy-5-methyl-2,3,4,5-tetrahydro-8H-2,5a-methanobenzo[b]oxepin-8-one
(2alpha,4alpha,5beta,5aalpha)-(-)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one
[ "" ]
(2S,4S,5R,5aS)-4-(2H-1,3-benzodioxol-5-yl)-7-methoxy-5-methyl-2,3,4,5-tetrahydro-8H-2,5a-methano-1-benzoxepin-8-one
OAS 1136
CS-0024447
(1S,8S,10S,11R)-10-(1,3-benzodioxol-5-yl)-3-methoxy-11-methyl-7-oxatricyclo[6.3.1.01,6]dodeca-2,5-dien-4-one
AKOS032949051
BDBM50213210
(2R,4R,5S,5aR)-rel-(-)-4-(1,3-benzodioxol-5-yl)-2,3,4,5- tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-benzoepin-8-one
CHEMBL295191
SXHVHWXETMBKPP-KXXATPMCSA-N
HY-N3914
DA-73593
(2S,4S,5R,5aS)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one
SCHEMBL3468519
(-)-Futoenone
CHEBI:132647
DTXSID201107665
19913-01-0

MDL Number

MFCD28100635

FAQ

What regulatory guidelines apply to Futoenone (CAS: 19913-01-0)?

Futoenone (CAS: 19913-01-0) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a flammable liquid. In the European Union, it is subject to the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. Additionally, it is regulated by the Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) in the United States for its potential use in pharmaceutical and industrial applications.

Are there alternatives to Futoenone (CAS: 19913-01-0) in synthesis?

There are several alternatives to Futoenone (CAS: 19913-01-0) in synthesis, including other ketones like cyclohexanone and methylcyclohexanone. These alternatives can serve as effective substituents in various organic reactions, depending on the specific requirements of the synthesis process.

What is the market or research trend for Futoenone (CAS: 19913-01-0)?

The market for Futoenone (CAS: 19913-01-0) is driven by its applications in the perfume and fragrance industry. Research trends are focusing on its use in developing novel fragrance compounds and its potential in the pharmaceutical sector for its unique properties. The increasing demand for eco-friendly and sustainable products is also influencing the trend towards the use of Futoenone in these industries.

How should waste containing Futoenone (CAS: 19913-01-0) be handled?

Waste containing Futoenone (CAS: 19913-01-0) should be collected in sealed, labeled containers and disposed of through a professional hazardous waste management service. It is important to follow local and national regulations for waste disposal, including proper incineration or chemical neutralization to prevent environmental contamination. Protective measures, such as the use of gloves and respirators, should be taken during handling to ensure safety.