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4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane - >95.0%(GC), high purity , CAS No.57280-22-5

COA

Grade & Purity:

≥95%(GC)

Cas Number: 57280-22-5
Molecular Weight: 144.17
EC Number: 421-750-9,629-743-4
MDL number: MFCD16621162
PubChem CID: 11094747
PubChem SID: 504765989

In stock

Item Number

D155953

Grouped product items
SKU	Size	Availability	Price
D155953-1g	1g	2	$25.90
D155953-5g	5g	3	$94.90
D155953-25g	25g	3	$423.90
D155953-100g	100g	3	$1,523.90
D155953-500g	500g	1	$6,856.90

View related series

Pharmaceutical ingredients (367) Seven membered ring compound (48)

Basic Description

Synonyms	4,4-Dimethyl-3,5,8-trioxabicyclo(5.1.0)octane \| BCP17091 \| EC 421-750-9 \| SB40516 \| EN300-136272 \| AKOS016007973 \| CS1776 \| AMY5474 \| MFCD16621162 \| SY053244 \| 4,4-dimethyl-3,5,8-trioxabicyclo[5,1,0]octane \| 4,4-Dimethyl-3,5,8-trioxabic-yclo[5,1,0]Octane
Specifications & Purity	≥95%(GC)
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 Organoheterocyclic compounds
  - Class Dioxepanes
    - Subclass 1,3-dioxepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dioxepanes
Subclass	1,3-dioxepanes
Intermediate Tree Nodes	Not available
Direct Parent	1,3-dioxepanes
Alternative Parents	Ketals Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Ketal - 1,3-dioxepane - Oxacycle - Ether - Oxirane - Dialkyl ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 3, respectively.
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	504765989
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765989
IUPAC Name	4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0]octane
INCHI	InChI=1S/C7H12O3/c1-7(2)8-3-5-6(10-5)4-9-7/h5-6H,3-4H2,1-2H3
InChIKey	GEKNCWQQNMEIMS-UHFFFAOYSA-N
Smiles	CC1(OCC2C(O2)CO1)C
Isomeric SMILES	CC1(OCC2C(O2)CO1)C
Alternate CAS	57280-22-5
Molecular Weight	144.17
Reaxy-Rn	1362449
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362449&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
C2127323	Certificate of Analysis	Jan 07, 2025	D155953
C2127324	Certificate of Analysis	Jan 07, 2025	D155953
K1814231	Certificate of Analysis	Sep 16, 2022	D155953
C2202263	Certificate of Analysis	Jan 21, 2022	D155953
C2202262	Certificate of Analysis	Jan 21, 2022	D155953
C2202306	Certificate of Analysis	Jan 21, 2022	D155953
C2202539	Certificate of Analysis	Jan 21, 2022	D155953

Chemical and Physical Properties

Sensitivity	Heat&Air sensitive
Refractive Index	1.58
Boil Point(°C)	86 °C/15 mmHg
Molecular Weight	144.170 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	144.079 Da
Monoisotopic Mass	144.079 Da
Topological Polar Surface Area	31.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	130.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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