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1-Methoxy-2-butanol - >93.0%(GC), high purity , CAS No.53778-73-7

COA

Grade & Purity:

≥93%(GC)

Cas Number: 53778-73-7
Molecular Weight: 104.15
MDL number: MFCD00059143
PubChem CID: 40895
PubChem SID: 504753603

In stock

Item Number

M158749

Grouped product items
SKU	Size	Availability	Price
M158749-5ml	5ml	5	$10.90
M158749-25ml	25ml	4	$40.90
M158749-100ml	100ml	1	$147.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	EN300-1256792 \| EINECS 258-763-2 \| 1,2-Butanediol 1-Monomethyl Ether \| rac-1-methoxy-2-butanol \| AKOS009156938 \| E78134 \| InChI=1/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3 \| MFCD00059143 \| 1-METHOXY-2-BUTANOL \| 1-Methoxybutan-2-ol \| 1-Methoxy-2-butanol, 97
Specifications & Purity	≥93%(GC)
Shipped In	Normal
Product Description	1-Methoxy-2-butanol is a secondary alcohol that has been identified as one of the volatile constituents in Zenkoji wines 1-Methoxy-2-butanol may be used to synthesize N-(1-methoxy-2-butyl)-n-hexylamine via N-alkylation of n-hexylamine in the presence of a novel ruthenium catalyst

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504753603
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753603
IUPAC Name	1-methoxybutan-2-ol
INCHI	InChI=1S/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3
InChIKey	CSZZMFWKAQEMPB-UHFFFAOYSA-N
Smiles	CCC(COC)O
Isomeric SMILES	CCC(COC)O
WGK Germany	3
RTECS	EL4540000
UN Number	1993
Packing Group	III
Molecular Weight	104.15
Reaxy-Rn	1732198
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732198&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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11 results found

Lot Number	Certificate Type	Date	Item
J1912061	Certificate of Analysis	Jul 31, 2023	M158749
H2307431	Certificate of Analysis	Feb 02, 2023	M158749
H2307384	Certificate of Analysis	Feb 02, 2023	M158749
H2307390	Certificate of Analysis	Feb 02, 2023	M158749
H2307434	Certificate of Analysis	Feb 02, 2023	M158749
J2229306	Certificate of Analysis	Aug 19, 2022	M158749
J2229307	Certificate of Analysis	Aug 19, 2022	M158749
J2229308	Certificate of Analysis	Aug 19, 2022	M158749
F2210496	Certificate of Analysis	May 26, 2022	M158749
F2210497	Certificate of Analysis	May 26, 2022	M158749
F2210498	Certificate of Analysis	May 26, 2022	M158749

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Chemical and Physical Properties

Refractive Index	1.41
Flash Point(°F)	102.2 °F
Flash Point(°C)	39°C
Boil Point(°C)	135°C
Molecular Weight	104.150 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	104.084 Da
Monoisotopic Mass	104.084 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	37.100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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