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1-O-[2-(benzylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(diethylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[diethylcarbamoyl(ethyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(dimethylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[dimethylcarbamoyl(methyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[ethylcarbamoyl(methyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[ethyl(ethylcarbamoyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(phenylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate

1-O-[2-(benzylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(diethylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[diethylcarbamoyl(ethyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(dimethylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[dimethylcarbamoyl(methyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[ethylcarbamoyl(methyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[ethyl(ethylcarbamoyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(phenylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate | CAS No. 8007-75-8

1-O-[2-(benzylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(diethylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[diethylcarbamoyl(ethyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(dimethylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[dimethylcarbamoyl(methyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[ethylcarbamoyl(methyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[ethyl(ethylcarbamoyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(phenylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate

Basic Information

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CAS Number

8007-75-8

Molecular Formula

C123H198N16O40

Molecular Weight

2541 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

159 °C

Density

0.877 g/mL at 25 °C<br />0.88 g/mL at 25 °C

Refractive Index

n20/D 1.4665(lit.)<br />n20/D 1.4675(lit.)

SMILES

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CCNC(=O)N(C)C(C)COC(=O)C=CC(=O)OC(C)C.CCNC(=O)N(CC)C(C)COC(=O)C=CC(=O)OC(C)C.CCN(CC)C(=O)NC(C)COC(=O)C=CC(=O)OC(C)C.CCN(CC)C(=O)N(CC)C(C)COC(=O)C=CC(=O)OC(C)C.CC(C)OC(=O)C=CC(=O)OCC(C)NC(=O)NCC1=CC=CC=C1.CC(C)OC(=O)C=CC(=O)OCC(C)NC(=O)NC1=CC=CC=C1.CC(C)OC(=O)C=CC(=O)OCC(C)NC(=O)N(C)C.CC(C)OC(=O)C=CC(=O)OCC(C)N(C)C(=O)N(C)C

InChI

InChI=1S/C18H24N2O5.C17H22N2O5.C17H30N2O5.2C15H26N2O5.2C14H24N2O5.C13H22N2O5/c1-13(2)25-17(22)10-9-16(21)24-12-14(3)20-18(23)19-11-15-7-5-4-6-8-15;1-12(2)24-16(21)10-9-15(20)23-11-13(3)18-17(22)19-14-7-5-4-6-8-14;1-7-18(8-2)17(22)19(9-3)14(6)12-23-15(20)10-11-16(21)24-13(4)5;1-6-17(7-2)15(20)16-12(5)10-21-13(18)8-9-14(19)22-11(3)4;1-6-16-15(20)17(7-2)12(5)10-21-13(18)8-9-14(19)22-11(3)4;1-10(2)21-13(18)8-7-12(17)20-9-11(3)16(6)14(19)15(4)5;1-6-15-14(19)16(5)11(4)9-20-12(17)7-8-13(18)21-10(2)3;1-9(2)20-12(17)7-6-11(16)19-8-10(3)14-13(18)15(4)5/h4-10,13-14H,11-12H2,1-3H3,(H2,19,20,23);4-10,12-13H,11H2,1-3H3,(H2,18,19,22);10-11,13-14H,7-9,12H2,1-6H3;2*8-9,11-12H,6-7,10H2,1-5H3,(H,16,20);7-8,10-11H,9H2,1-6H3;7-8,10-11H,6,9H2,1-5H3,(H,15,19);6-7,9-10H,8H2,1-5H3,(H,14,18)

InChIKey

YYNPHIWBEFSYTD-UHFFFAOYSA-N

LogP

12.160699999999965

Topological Polar Surface Area

679.5200000000003 Å²

Hydrogen Bond Donor/Acceptor

8 / 56

Complexity

3350

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H304 May be fatal if swallowed and enters airways
Aspiration hazard

H315 Causes skin irritation
Skin corrosion/irritation

Synonyms & References

English

153065-40-8
8007-75-8
Bergamot oil
BERGAMOT OIL
OIL, BERGAMOT
OIL OF BERGAMOT
BERGAMOT OIL, IMITATION
BERGAMOT OIL ITALIAN
BERGAMOT TERPENES
FEMA 2153
Bergamotoil,concentrated
BERGAMOT
OIL, BERGAMOT(RG)
Bergamot oil (Citrus aurantium L. subsp. bergamia)
Bergamot oil rectified
Bergamot oil, terpeneless
Bergamot orange oil
Bergamotte oel
Bergamotte oel [German]
CCRIS 7501
Citrus aurantium bergamia oil
FEMA No. 2153
HSDB 1946
Oil of bergamot, rectified
Oils, bergamot
UNII-39W1PKE3JI
Citrus bergamia Essential oil
Bergamot Oil

MDL Number

MFCD00130613

FAQ

What regulatory guidelines apply to 1-O-[2-(benzylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate (CAS: 8007-75-8)?

Regulatory guidelines for the compound 1-O-[2-(benzylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate (CAS: 8007-75-8) include the Globally Harmonized System (GHS) classification, REACH regulations, and FDA/EPA requirements. It is important to ensure that the compound is handled, stored, and transported in compliance with these guidelines to avoid any potential hazards and environmental impacts.

Are there alternatives to 1-O-[2-(diethylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate (CAS: 8007-75-8) in synthesis?

There are several alternatives to 1-O-[2-(diethylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate (CAS: 8007-75-8) in synthesis, including the use of other diethylcarbamoyl derivatives or similar functional groups. These alternatives can be chosen based on the specific requirements of the synthesis and the desired properties of the final product.

What is the market or research trend for 1-O-[2-(benzylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate (CAS: 8007-75-8)?

The market and research trends for 1-O-[2-(benzylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate (CAS: 8007-75-8) are driven by its unique chemical properties, which make it useful in various applications, including pharmaceuticals and materials science. Research is focusing on its potential use in drug discovery and the development of new materials with specific functionalities.

How should waste containing 1-O-[2-(benzylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate (CAS: 8007-75-8) be handled?

Waste containing 1-O-[2-(benzylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate (CAS: 8007-75-8) should be handled according to the local hazardous waste management regulations. Waste collection should be done in appropriate containers, and the waste should be incinerated or disposed of by a professional waste disposal service to ensure environmental safety and compliance with regulatory requirements.