1-{2-[2-Hydroxy-3-(propylamino)propoxy]phenyl}-3-phenyl-1-propanone

Basic Information

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CAS Number

8002-74-2

Molecular Formula

C21H27NO3

Molecular Weight

341.45 g/mol

EINECS

232-315-6

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

43-95 °C

Boiling Point

322℃

Density

0.82

Solubility

Soluble in chloroform, ether, volatile oils, and most warm fixed oils; slightly soluble in ethanol; practically insoluble in acetone, ethanol (95%), and water. Paraffin can be mixed with most waxes if melted and cooled.

Refractive Index

1.45

Odor

odorless

SMILES

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CCCNCC(COc1ccccc1C(=O)CCc2ccccc2)O

InChI

InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3

InChIKey

JWHAUXFOSRPERK-UHFFFAOYSA-N

LogP

3.2414000000000027

Topological Polar Surface Area

58.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Safety Information

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Storage Conditions

Store below +30°C.

Auto-ignition Temperature

>300 °C

Explosive Limit

0.6-6.5%(V)

Toxicity

LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 3600 mg/kg

RTECS

RV0350000

Synonyms & References

English

Paraffin waxes and Hydrocarbon waxes
TISSUEPREP 2 EMBEDDING MEDIA
PATHOPREP 546
PATHOPREP568
PATHOPREP580
paraffinwaxfume
waxes:paraffin
SYNTHETIC WAX
PATHOPREP 546PATHOPREP568PATHOPREP580TISSUEPREP 2 EMBEDDING MEDIAparaffinwaxfumewaxes:paraffinParaffin waxes and Hydrocarbon waxesSYNTHETIC WAXPARAFFIN WHITE, PASTILLES, CONGEA-LING R ANGE 50-55 DEGREE C, EXTRA PURE, DABPARAFFIN WAX, WHITE CHUNKS, C.P. 58-62 D EG.PARAFFIN WAX, WHITE CHUNKS, C.P. 54-56 D EG.Paraffin wax, mp 70-80 (ASTM D 127)PARAFFIN WAX, LARGE LUMPS, WHITE, SP 44- 46 CPARAFFIN WAX, PH EUR, PELLETS, WHITE, SP 54-56 CACC
Paraffin wax
PARAFFIN WAX MELTING POINT 58-60 DEG C FOR HISTOLOGY EMBEDDING
4-NITROPHENYLPHOSPHATE,BIS-(CYCLOHEXYL-AMMOUIUM)SALT MONOHYDRATE
Paraffin wax, granular, pure
Paraffin wax, pure, granular
Paraffin with ceresin
P-NITROPHENYLPHOSPHATE,BIS-(CYCLOHEXYL-AMMOUIUM)SALT MONOHYDRATE
58 # semi refined paraffin wax
56 # semi refined paraffin wax
Paraffin(from rice bran)
PARAFFIN IN PASTILLE FORM 51-53 PH EUR,B
PARAFFIN IN PASTILLE FORM 52-54 PH EUR,B
PARAFFIN IN BLOCK FORM 42-44 25 KG
PARAFFIN IN BLOCK FORM 46-48 1 KG
PARAFFIN IN PASTILLE FORM 56-58 PH EUR,B
PARAFFIN IN PASTILLE FORM 57-60 PH EUR,B
PARAFFIN IN BLOCK FORM 46-48 25 KG
PARAFFIN IN BLOCK FORM 42-44 1 KG

MDL Number

MFCD00132833

EC Number

232-315-6

Customs Code

27101999

FAQ

What is 1-{2-[2-Hydroxy-3-(propylamino)propoxy]phenyl}-3-phenyl-1-propanone (CAS: 8002-74-2)?

1-{2-[2-Hydroxy-3-(propylamino)propoxy]phenyl}-3-phenyl-1-propanone (CAS: 8002-74-2) is an organic compound with the molecular formula C21H26N2O3. It is a yellow solid with moderate solubility in organic solvents, featuring a propanone core substituted with phenyl and propylamino groups. The compound is known for its structural complexity and potential applications in chemical synthesis.

What are the main uses of 1-{2-[2-Hydroxy-3-(propylamino)propoxy]phenyl}-3-phenyl-1-propanone (CAS: 8002-74-2)?

This compound is primarily used as a pharmaceutical intermediate in the synthesis of certain drugs, including antipsychotics and antihistamines. It also serves as a key component in industrial chemical processes and research applications, particularly in the development of organic compounds with specific functional groups. Its versatility makes it valuable in medicinal chemistry and specialty chemical manufacturing.

Is 1-{2-[2-Hydroxy-3-(propylamino)propoxy]phenyl}-3-phenyl-1-propanone (CAS: 8002-74-2) safe?

The safety of 1-{2-[2-Hydroxy-3-(propylamino)propoxy]phenyl}-3-phenyl-1-propanone (CAS: 8002-74-2) depends on handling conditions. It is generally considered safe when used in controlled environments, but proper protective equipment, such as gloves and goggles, is recommended. Inhalation, ingestion, or skin contact should be avoided, and it is classified under safety standards requiring caution in industrial and laboratory settings.

How should 1-{2-[2-Hydroxy-3-(propylamino)propoxy]phenyl}-3-phenyl-1-propanone (CAS: 8002-74-2) be stored?

This compound should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed, airtight container to maintain stability. Storage at temperatures below 25°C is recommended to prevent degradation, and it should be kept out of reach of children and incompatible materials to ensure long-term safety and efficacy.