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cis-1,3-O-Benzylideneglycerol - 97%, high purity , CAS No.4141-19-9

COA

Grade & Purity:

≥97%

Cas Number: 4141-19-9
Molecular Weight: 180.2
MDL number: MFCD00274343
PubChem CID: 74362

In stock

Item Number

I134965

Grouped product items
SKU	Size	Availability	Price	Qty
I134965-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
I134965-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90

Discover cis-1,3-O-Benzylideneglycerol by Aladdin Scientific in 97% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1,3-benzylideneglycerol \| 1,3-Dioxan-5-ol, 2-phenyl-, trans- \| 2-Phenyl-1,3-dioxinan-5-ol \| Biphenyl, 3-bromo- \| CHEBI:173858 \| DTXSID3061899 \| NSC97343 \| NSC-97343 \| EINECS 216-963-7 \| m-Dioxan-5-ol, 2-phenyl-, trans- \| A6851 \| BWKDAAFSXYPQOS-MGCOHNPYSA-
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
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 Organoheterocyclic compounds
  - Class Dioxanes
    - Subclass 1,3-dioxanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dioxanes
Subclass	1,3-dioxanes
Intermediate Tree Nodes	Not available
Direct Parent	1,3-dioxanes
Alternative Parents	Benzene and substituted derivatives Secondary alcohols Oxacyclic compounds Acetals Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenoid - Monocyclic benzene moiety - Meta-dioxane - Secondary alcohol - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
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	2-phenyl-1,3-dioxan-5-ol
INCHI	InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKey	BWKDAAFSXYPQOS-UHFFFAOYSA-N
Smiles	C1C(COC(O1)C2=CC=CC=C2)O
Isomeric SMILES	C1C(COC(O1)C2=CC=CC=C2)O
WGK Germany	3
Molecular Weight	180.2
Reaxy-Rn	84059
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=84059&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
G2425472	Certificate of Analysis	Apr 28, 2024	I134965

Chemical and Physical Properties

Molecular Weight	180.200 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	180.079 Da
Monoisotopic Mass	180.079 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	146.000
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

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