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(S)-3-Butene-1,2-diol - 97.0% (GC), high purity , CAS No.62214-39-5

1 Citations

COA

Grade & Purity:

≥97%(GC)

Cas Number: 62214-39-5
Molecular Weight: 88.11
Beilstein Registry Number: 4241980
PubChem CID: 6999958

In stock

Item Number

I171225

Grouped product items
SKU	Size	Availability	Price	Qty
I171225-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$220.90

Basic Description

Synonyms	(S)-3-Butene-1,2-diol \| 62214-39-5 \| (S)-But-3-ene-1,2-diol \| (2S)-but-3-ene-1,2-diol \| (2s)-3-butene-1,2-diol \| 3-Butene-1,2-diol, (S)- \| N4142M4L8H \| 3-Butene-1,2-diol, (2S)- \| UNII-N4142M4L8H \| DTXSID201016476 \| MFCD00145261 \| CS-0170861 \| A23734 \| (S)-3-Butene-1,2-diol, >=97.0
Specifications & Purity	≥97%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols
      - Level5 Polyols
        Level6 1,2-diols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Polyols
Direct Parent	1,2-diols
Alternative Parents	Secondary alcohols Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - 1,2-diol - Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
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

IUPAC Name	(2S)-but-3-ene-1,2-diol
INCHI	InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m0/s1
InChIKey	ITMIAZBRRZANGB-BYPYZUCNSA-N
Smiles	C=CC(CO)O
Isomeric SMILES	C=C[C@@H](CO)O
WGK Germany	3
Molecular Weight	88.11
Beilstein	4241980
Reaxy-Rn	1633578
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633578&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	228.2 °F
Flash Point(°C)	109 °C
Molecular Weight	88.110 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	88.0524 Da
Monoisotopic Mass	88.0524 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	42.800
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

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