辛甲甙

Description

Cinmethylin · CAS 87818-31-3 · C18H26O2. UNII ZV3871E43Y.

Identification

CAS Registry Number	87818-31-3
PubChem CID	91745
Molecular formula	C18H26O2
IUPAC name	(1S,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
UNII (FDA)	ZV3871E43Y

Computed Descriptors

Molecular Weight	274.4
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	274.193280068
Monoisotopic Mass	274.193280068
Topological Polar Surface Area	18.5
Heavy Atom Count	20
Formal Charge	0

Physical description & handling notes

• 169.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3034456]

GHS Hazard Classification

Reported hazard statements	H332, H411

Documented Uses

• Paraoxonase (PON1) is a key enzyme in the metabolism of organophosphates. PON1 can inactivate some organophosphates through hydrolysis. PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphisms causes there to be different enzyme levels and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effect of OP exposure.

Synonyms

Cinmethylin; Argold; Cinch; Cinmethylin [ISO]; 87818-31-3; Caswell No. 731G; DTXSID3034456; EPA Pesticide Chemical Code 128837; SD95481; SD 95481; ZV3871E43Y; CINMETHYLIN [MI]; DTXCID60196478; EC 402-410-9; (+-)-exo-1-Methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-7-oxabicyclo(2.2.1)heptane; 7-Oxabicyclo(2.2.1)heptene exo-(+-)-1-methyl-4-(1-methylethyl)-2-((2-methylphenyl)methoxy)-

Frequently Asked Questions

What are the CAS number and molecular formula of Cinmethylin?

CAS 87818-31-3; molecular formula C18H26O2; molecular weight — g/mol.

What other names is Cinmethylin known by?

Cinmethylin, Argold, Cinch, Cinmethylin [ISO], 87818-31-3, Caswell No. 731G.

Is Cinmethylin classified as hazardous?

Hazard statements reported: H332, H411.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.