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1,4-Butanediol - 98%, high purity , CAS No.110-63-4

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1,4-Butanediol - 98%, high purity , CAS No.110-63-4

521 Citations

COA

Grade & Purity:

≥98%

Cas Number: 110-63-4
Molecular Weight: 90.12
Beilstein Registry Number: 1633445
EC Number: 203-786-5
MDL number: MFCD00002968
PubChem CID: 8064

In stock

Item Number

B110394

Grouped product items
SKU	Size	Availability	Price	Qty
B110394-100g	100g	7	$28.90
B110394-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$44.90

Basic Description

Synonyms	BDO \| 1,4-butane diol \| DIOL 14B \| NSC 406696 \| 1.4-butanediol \| AI3-07553 \| BRN 1633445 \| 1,4 butylene glycol \| 1,4-Butanediol, 99% \| 1.4 - butanediol \| HSDB 1112 \| Sucol B \| BU1 \| 1,4-Butylene glycol \| butane diol-1,4 \| J-512798 \| NCGC00257119-01 \| 1,4-
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

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	Primary alcohols
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
External Descriptors	a glycol
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

Associated Targets(Human)

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Gamma-hydroxybutyrate receptor (68 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	butane-1,4-diol
INCHI	InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey	WERYXYBDKMZEQL-UHFFFAOYSA-N
Smiles	C(CCO)CO
Isomeric SMILES	C(CCO)CO
WGK Germany	1
RTECS	EK0525000
Molecular Weight	90.12
Beilstein	1633445
Reaxy-Rn	1633445
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633445&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

26 results found

Lot Number	Certificate Type	Date	Item
H2416090	Certificate of Analysis	Aug 30, 2024	B110394
D2301049	Certificate of Analysis	Apr 10, 2023	B110394
D2301050	Certificate of Analysis	Apr 10, 2023	B110394
D2301041	Certificate of Analysis	Apr 08, 2023	B110394
A2331309	Certificate of Analysis	Feb 03, 2023	B110394
A2331306	Certificate of Analysis	Feb 03, 2023	B110394
A2331307	Certificate of Analysis	Feb 03, 2023	B110394
A2331305	Certificate of Analysis	Feb 03, 2023	B110394
K2204178	Certificate of Analysis	Nov 08, 2022	B110394
K2204176	Certificate of Analysis	Nov 08, 2022	B110394
K2204177	Certificate of Analysis	Nov 08, 2022	B110394
I2221183	Certificate of Analysis	Sep 29, 2022	B110394
I2221185	Certificate of Analysis	Sep 29, 2022	B110394
I2221186	Certificate of Analysis	Sep 29, 2022	B110394
H2301078	Certificate of Analysis	Sep 29, 2022	B110394
H2301090	Certificate of Analysis	Sep 29, 2022	B110394
G2227707	Certificate of Analysis	Aug 02, 2022	B110394
A2211335	Certificate of Analysis	Jan 26, 2022	B110394
F2519032	Certificate of Analysis	Jan 26, 2022	B110394
E2416040	Certificate of Analysis	Jan 26, 2022	B110394
L2412417	Certificate of Analysis	Jan 26, 2022	B110394
A2213212	Certificate of Analysis	Jan 24, 2022	B110394
A2211376	Certificate of Analysis	Jan 24, 2022	B110394
A2213211	Certificate of Analysis	Jan 24, 2022	B110394
E2417045	Certificate of Analysis	Jan 24, 2022	B110394
A2211334	Certificate of Analysis	Jan 24, 2022	B110394

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Chemical and Physical Properties

Solubility	Slightly soluble in ether, miscible with water, soluble in ethanol, etc.
Sensitivity	Hygroscopic
Freezing Point(°C)	20 °C
Refractive Index	1.442-1.448
Flash Point(°F)	＞121℃
Flash Point(°C)	＞121℃
Boil Point(°C)	230°C
Melt Point(°C)	16°C
Molecular Weight	90.120 g/mol
XLogP3	-0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	90.0681 Da
Monoisotopic Mass	90.0681 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	17.500
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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

How to Cite Aladdin Scientific Products? Citations Search

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