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2-Phenyl-1,3-dioxan-5-ol - mixture of cis and trans, ≥97.0% (HPLC), high purity , CAS No.1708-40-3

COA

Grade & Purity:

≥97%(HPLC)
mixture of cis and trans

Cas Number: 1708-40-3
Molecular Weight: 180.2
Beilstein Registry Number: 84059
EC Number: 216-963-7
MDL number: MFCD00047504
PubChem CID: 74362
PubChem SID: 504754804

In stock

Item Number

P121830

Grouped product items
SKU	Size	Availability	Price
P121830-1g	1g	3	$63.90
P121830-5g	5g	3	$261.90
P121830-25g	25g	3	$1,175.90

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Dioxane (70) Six-Membered Heterocyclic Compounds (1696)

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%(HPLC), mixture of cis and trans
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.
Product Description	It reacts with triphenylphosphine-carbon tetrabromide to yield cis-4-bromomethyl-2-phenyl-1,3-dioxolan, its trans-diastereoisomer and trans-5-bromo-2-phenyl-1,3-dioxan. It was used as starting reagent in the synthesis of carbonate of glycerol monomer, 5-benzyloxy-1,3-dioxan-2-one which forms copolymers with ε-caprolactone.

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

Pubchem Sid	504754804
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754804
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
Beilstein	84059
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)

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

Analytical Chart:

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13 results found

Lot Number	Certificate Type	Date	Item
K2322338	Certificate of Analysis	Jun 27, 2023	P121830
K2322339	Certificate of Analysis	Jun 27, 2023	P121830
H2308932	Certificate of Analysis	May 04, 2023	P121830
H2308952	Certificate of Analysis	May 04, 2023	P121830
H2308854	Certificate of Analysis	May 04, 2023	P121830
H2308953	Certificate of Analysis	May 04, 2023	P121830
H2308860	Certificate of Analysis	May 04, 2023	P121830
H2308938	Certificate of Analysis	May 04, 2023	P121830
K1827121	Certificate of Analysis	Sep 19, 2022	P121830
K1807084	Certificate of Analysis	Sep 13, 2022	P121830
J1829056	Certificate of Analysis	Sep 09, 2022	P121830
C1829136	Certificate of Analysis	Jan 25, 2022	P121830
C1829137	Certificate of Analysis	Jan 25, 2022	P121830

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Chemical and Physical Properties

Sensitivity	Heat & Air & Moisture sensitive
Melt Point(°C)	84°C
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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