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(S)-(-)-1,2,4-Butanetriol - 96%, ee 99+%, high purity , CAS No.42890-76-6

COA

Cas Number: 42890-76-6
Molecular Weight: 106.12
Beilstein Registry Number: 1733456
EC Number: 221-323-5
MDL number: MFCD00002929
PubChem CID: 640997

In stock

Item Number

S102777

Grouped product items
SKU	Size	Availability	Price	Qty
S102777-1g	1g	3	$33.90
S102777-5g	5g	3	$130.90

Discover (S)-(-)-1,2,4-Butanetriol by Aladdin Scientific in 96%, ee 99+% for only $33.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Q27247589 \| (2S)-butane-1,2,4-triol \| (2~{S})-butane-1,2,4-triol \| (-)-1,2,4-Butanetriol \| MFCD00063213 \| CHEBI:140438 \| SCHEMBL705919 \| (2S)-butane-1,2,4-triol;(S)-(-)-1,2,4-BUTANETRIOL \| (S)-1,2,4-Butanetriol \| (s)-(-)-butane-1,2,4-triol \| AMY14876 \| AS
Specifications & Purity	≥96%,≥99%(ee)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Polyols Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - Polyol - Hydrocarbon derivative - Primary alcohol - 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

IUPAC Name	(2S)-butane-1,2,4-triol
INCHI	InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1
InChIKey	ARXKVVRQIIOZGF-BYPYZUCNSA-N
Smiles	C(CO)C(CO)O
Isomeric SMILES	C(CO)[C@@H](CO)O
WGK Germany	3
Molecular Weight	106.12
Beilstein	1733456
Reaxy-Rn	1719409
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719409&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
L2205535	Certificate of Analysis	Oct 09, 2022	S102777
L2205533	Certificate of Analysis	Oct 09, 2022	S102777
G2207382	Certificate of Analysis	Jun 23, 2022	S102777
C2228145	Certificate of Analysis	Feb 10, 2022	S102777
C2228136	Certificate of Analysis	Feb 10, 2022	S102777

Chemical and Physical Properties

Sensitivity	Hygroscopic.
Refractive Index	1.475
Flash Point(°F)	230 °F
Flash Point(°C)	>110°C
Boil Point(°C)	150°C
Molecular Weight	106.120 g/mol
XLogP3	-1.400
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	106.063 Da
Monoisotopic Mass	106.063 Da
Topological Polar Surface Area	60.700 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	37.900
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

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