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2-Propanol, 1-butoxi-

CAS：5131-66-8
MW:132.20074
MF：C7H16O2

1-BUTOXY-2-PROPANOL, with the chemical formula C7H16O2 and CAS registry number 5131-66-8, is a compound known for its applications in various industries. This colorless liquid, also referred to as butyl cellosolve, is characterized by its butoxy and propanol functional groups. It is commonly used as a solvent in paints, coatings, and cleaning products, offering excellent solvency properties for a wide range of materials. 1-BUTOXY-2-PROPANOL is also used as a coupling agent, helping to improve the compatibility of different components in formulations. Additionally, it can be found in some personal care products and as a chemical intermediate in the production of other compounds. Overall, 1-BUTOXY-2-PROPANOL is a versatile compound with various industrial applications.

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Nombres y Identificadores
Propiedades
MSDS
NMR El espectro.
Datos químicos computacionales
información real del producto

1. Nombres y Identificadores

1.1 Nombre del producto: 2-Propanol, 1-butoxi-

1.2 Sinónimos: 1-(n-Butoxy)propan-2-ol; 1,2-Propylene glycol 1-monobutyl ether; 1-Butoxy-2-hydroxypropane; 1-butoxypropan-2-ol; 1-Methyl-3-oxa-1-heptanol; 2-Hydroxy-3-butoxypropane; 2-Propanol, 1-butoxy-; 3-Butoxy-2-propanol; C4H9OCH2CH(CH3)OH; EINECS 225-878-4; MFCD00021904; NSC 2211; Propylene Glycol 1-Monobutyl Ether; Solvenon PnB;

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1.3 CAS No.: 5131-66-8

1.4 CID: 21210

1.5 Número EINECS: 225-878-4

1.6 Fórmula molecular: C7H16O2

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

1.8 InchiKey: RWNUSVWFHDHRCJ-UHFFFAOYSA-N

1.9 Canónico SMILES: CCCCOCC(C)O

1.10 Isómero SMILES: CCCCOCC(C)O

2. Propiedades

2.1 Vapour: Relative vapour density (air = 1): 4.55

2.2 Solubilidad: Soluble in water: 6 g/100 ml

2.3 Vapour: Relative vapour density (air = 1): 4.55

2.4 pKa: 14.49±0.20(Predicted)

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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4. NMR El espectro.

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

IR : CCl4 solution

IR : liquid film

Raman : 4880 A,100M,liquid

Mass

5. Árbol de objetos

5131-66-8Total: 9 Árbol de objetos

4352-99-2 3 Productores

15821-83-7 11 Productores

5131-66-8 54 Productores

75-56-9 118 Productores

71-36-3 61 Productores

5131-66-8 54 Productores

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6. Precursores y productos

Precursores:

109-69-3

109-65-9

57-55-6

4352-99-2

75-56-9

71-36-3

2372-45-4

123-72-8

Productos:

75-07-0

123-38-6

50-00-0

84223-13-2

592-84-7

7. Datos químicos computacionales

Molecular Weight：132.20074g/mol
Molecular Formula：C₇H₁₆O₂
Compound Is Canonicalized：True
Exact Mass：1.1
XLogP3-AA：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：AAADceBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAACAAAEAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==