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Dipropyleneglycolmonobutylether - ≥98%,Mixture of isomers, high purity , CAS No.29911-28-2
Basic Description
Synonyms
29911-28-2 | 1-(2-Butoxy-1-methylethoxy)propan-2-ol | 1-((1-Butoxypropan-2-yl)oxy)propan-2-ol | 9003-13-8 | 2-Propanol, 1-(2-butoxy-1-methylethoxy)- | Dipropylene glycol monobutyl ether | 1-(1-butoxypropan-2-yloxy)propan-2-ol | 1-(2-BUTOXY-1-METHYLETHOXY)-2-PROPANOL | Di
Specifications & Purity
≥98%, Mixture of isomers
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Not available
Direct Parent
Secondary alcohols
Alternative Parents
Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Secondary alcohol - Ether - Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504753256
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504753256
IUPAC Name
1-(1-butoxypropan-2-yloxy)propan-2-ol
INCHI
InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
InChIKey
CUVLMZNMSPJDON-UHFFFAOYSA-N
Smiles
CCCCOCC(C)OCC(C)O
Isomeric SMILES
CCCCOCC(C)OCC(C)O
Alternate CAS
35884-42-5
Molecular Weight
190.28
Reaxy-Rn
1743918
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743918&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.426
Melt Point(°C)
222-232°C
Molecular Weight
190.280 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
8
Exact Mass
190.157 Da
Monoisotopic Mass
190.157 Da
Topological Polar Surface Area
38.700 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
106.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations
F2525038