甲酸桃金娘酯

Description

Myrtenyl formate is identified by CAS 72928-52-0, molecular formula C11H16O2 and molecular weight 180.12 g/mol. UNII 47XS98W33J; InChIKey QHPJGDWWLWJMPM-UWVGGRQHSA-N.

Identification

CAS Registry Number	72928-52-0
PubChem CID	76956199
Molecular formula	C11H16O2
Molecular weight	180.12 g/mol
IUPAC name	[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl formate
InChIKey	QHPJGDWWLWJMPM-UWVGGRQHSA-N
UNII (FDA)	47XS98W33J

Computed Descriptors

Molecular Weight	180.24
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	180.115029749
Monoisotopic Mass	180.115029749
Topological Polar Surface Area	26.3
Heavy Atom Count	13
Formal Charge	0

Synonyms

FEMA No. 3405; 47XS98W33J; UNII-47XS98W33J; EINECS 277-082-1; 2-Hydroxymethyl-6,6-dimethylbicyclo(3.1.1)hept-2-enyl formate; Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, formate; 6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methyl formate; (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl formate; SCHEMBL17710679; (+/-)-MYRTENYL FORMATE; Q27259082; 2-HYDROXYMETHYL-6,6-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENYL FORMATE [FHFI]

Frequently Asked Questions

What are the CAS number and molecular formula of Myrtenyl formate?

CAS 72928-52-0; molecular formula C11H16O2; molecular weight 180.12 g/mol.

What other names is Myrtenyl formate known by?

FEMA No. 3405, 47XS98W33J, UNII-47XS98W33J, EINECS 277-082-1, 2-Hydroxymethyl-6,6-dimethylbicyclo(3.1.1)hept-2-enyl formate, Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, formate.

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.