PROPYLENGLYKOLBUTYLETHER Molecular Structure

3D Mol Similar

PROPYLENGLYKOLBUTYLETHER

: IUPACName：2-butoxypropan-1-ol; CAS Registry Number: 15821-83-7; Masse moléculaire：132.20100

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1. Namen und Bezeichner

: 1.1 Produktname; PROPYLENGLYKOLBUTYLETHER; 1.2 Synonyme; 1-Propanol, 2-Butoxy-2-BUTOXY-1-PROPANOLbeta PropylenglykolbutyletherHOC3H6OC4H9

1.3 CAS Registry Number: 15821-83-7

1.4 CID: 177691

1.5 EINECS-Nummer: 605-138-0

1.6 Summenformel: C7H16O2 (isomer)

1.7 Inchi: InChI=1S/C7H16O2/c1-3-4-5-9-7(2)6-8/h7-8H,3-6H2,1-2H3

1.8 InchiKey: WGKZYJXRTIPTCV-UHFFFAOYSA-N

1.9 Kanonisch SMILES: CCCCOC(C)CO

1.10 Isomere SMILES: CCCCOC(C)CO

2. Eigenschaften

2.1 Dichte: 0.885 g/mL at 25ºC

2.2 Siedepunkt: 318.1ºC at 760 mmHg

2.3 Blitzpunkt: 146.2ºC

2.4 PSA: 29.46000

2.5 logP: 1.18390

2.6 pKa: 14.47±0.10(Predicted)

3. Sicherheit und Handhabung

3.1 Gefahrensymbole: Xi

3.2 Risiko-Codes: R36/38

4. SDB-Informationen

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. Synthetischer Weg.

15821-83-7Total: 8 Synthetischer Weg.

4352-99-2 3 Lieferanten

15821-83-7 11 Lieferanten

5131-66-8 54 Lieferanten

Literatur:
EASTMAN CHEMICAL COMPANY Patent: US2012/330069 A1, 2012 ; Location in patent: Page/Page column 9-10 ;
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57-55-6 965 Lieferanten

71-36-3 61 Lieferanten

15821-83-7 11 Lieferanten

5131-66-8 54 Lieferanten

Literatur:
Liu, Fei; De Oliveira Vigier, Karine; Pera-Titus, Marc; Pouilloux, Yannick; Clacens, Jean-Marc; Decampo, Floryan; Jerome, Francois Green Chemistry, 2013 , vol. 15, # 4 p. 901 - 909
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75-56-9 118 Lieferanten

71-36-3 61 Lieferanten

15821-83-7 11 Lieferanten

5131-66-8 54 Lieferanten

Literatur:
Takeuchi, Hiroshi; Kitajima, Kunio; Yamamoto, Yasuhiro; Mizuno, Kiyokazu Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1993 , # 2 p. 199 - 203
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6. Computerchemische Daten

Masse moléculaire: 132.20100g/mol
Summenformel: C₇H₁₆O₂
Compound Is Canonicalized: True
XLogP3-AA: 1.1
Exact Mass: 132.115029749
Monoisotopic Mass: 132.115029749
Complexity: 54.9
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 29.5
Heavy Atom Count: 9
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAACQAAEAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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Purity:99%Packing: 200kg/bag FOB
Price: 0.1 USD/kilogram
Time: 2023/06/28

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1-Propanol,2-butoxy-