Encyclopedia / Others / Pharmaceutical Intermediates / Dyestuff Intermediates

Propylene glycol n-butyl ether

CAS：10215-33-5
MW:132.203
MF：C7H16O2

The longer C4 alkylcarbon chain in propylene glycol n-butyl ether (PnB) affords more organicsolvency as compared to the shorter methyl side chain group found in dipropyleneglycol methyl ether (DPM). The PnB solvent is a better choice for a coalescentsolvent than the DPM since the DPM solvent is completely water soluble.Complete water solubility limits the all important organic solubility necessary forgood latex film formation. Propylene glycol n-butyl ether Preparation Products And Raw materials Raw materials View more+

Email Tweet Share

Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Propylene glycol n-butyl ether

1.2 Synonyms: 1-Propanol, 3-butoxy-; 3-Butoxy-1-propanol; 3-Butoxypropanol; 3-n-Butoxy-1-propanol; Brn 1734195; Dowanol 37b; n-butoxy-1-propanol; Nsc 221254; Propylene Glycol Mono-N-Butyl Ether; Propylene glycol mono-n-butyl ether: (3-butoxy-1-propanol); Propylene glycol n-butyl ether;

1.3 CAS No.: 10215-33-5

1.4 CID: 82457

1.5 Molecular Formula: C7H16O2

1.6 Inchi: InChI=1S/C7H16O2/c1-2-3-6-9-7-4-5-8/h8H,2-7H2,1H3

1.7 InChkey: NTKBNCABAMQDIG-UHFFFAOYSA-N

1.8 Canonical Smiles: CCCCOCCCO

1.9 Isomers Smiles: CCCCOCCCO

2. Properties

2.1 Solubility: 溶解 (45 g/L) (25 oC),

2.2 pKa: 14.89±0.10(Predicted)

3. Use and Manufacturing

3.1 Usage: The longer C4 alkylcarbon chain in propylene glycol n-butyl ether (PnB) affords more organicsolvency as compared to the shorter methyl side chain group found in dipropyleneglycol methyl ether (DPM). The PnB solvent is a better choice for a coalescentsolvent than the DPM since the DPM solvent is completely water soluble.Complete water solubility limits the all important organic solubility necessary forgood latex film formation. Propylene glycol n-butyl ether Preparation Products And Raw materials Raw materials

View all

4. Safety and Handling

4.1 Report: Glycol ethers are on the Community Right-To-Know List.

4.2 Safety: The safety information of n-Butoxy-1-propanol (CAS NO.10215-33-5):
Poison by intravenous route. Moderately toxic by skin contact. Mildly toxic by ingestion. A mild skin and severe eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

View all

4.3 Toxicity

The toxicity of n-Butoxy-1-propanol (CAS NO.10215-33-5):

1.	skn-rbt 500 mg open MLD	UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 7/28/66 .
2.	eye-rbt 15 mg SEV	UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 7/28/66 .
3.	eye-rbt 2 mg/24H SEV	85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,633.
4.	orl-rat LD₅₀:5950 µL/kg	AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470.
5.	ivn-mus LD₅₀:320 mg/kg	CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#02921 .
6.	skn-rbt LD₅₀:1590 mg/kg	AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470.

View all

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

View all

6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

7. Synthesis Route

10215-33-5Total: 8 Synthesis Route

109-65-9 238 Suppliers

10215-33-5 10 Suppliers

5663-33-2

10215-33-5 10 Suppliers

View all

8. Precursor and Product

precursor:

5663-33-2

142-28-9

109-65-9

627-30-5

503-30-0

71-36-3

2372-45-4

504-63-2

product:

542-69-8

627-31-6

9. Computed Properties

Molecular Weight：132.203g/mol
Molecular Formula：C₇H₁₆O₂
Compound Is Canonicalized：True
Exact Mass：1
XLogP3-AA：132.115029749
Monoisotopic Mass：132.115029749
Complexity：46.2
Rotatable Bond Count：6
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：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAABgAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAACQAAFAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10.Other Information

Industrial uses: The longer C4 alkyl carbon chain in propylene glycol n-butyl ether (PnB) affords more organic solvency as compared to the shorter methyl side chain group found in dipropylene glycol methyl ether (DPM). The PnB solvent is a better choice for a coalescent solvent than the DPM since the DPM solvent is completely water soluble. Complete water solubility limits the all important organic solubility necessary for good latex film formation.

View all

11. Toltal 10 Suppliers View more