METHYL HEPTINE CARBONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H14O2
Molecular Weight	154.2063
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCC#CC(=O)OC

InChI

InChIKey=FRLZQXRXIKQFNS-UHFFFAOYSA-N

InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H14O2
Molecular Weight	154.2063
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Synthesis of seven-membered lactones via nickel- and zinc-catalyzed highly regio- and stereoselective cyclization of 2-iodobenzyl alcohols with propiolates.	2002 May 22	12010023
Is there evidence that methyl heptine carbonate causes allergic contact dermatitis?	2006	17162413
Active sensitization and contact allergy to methyl 2-octynoate.	2010 Feb	20136892
Determination of suspected allergens in cosmetic products by headspace-programmed temperature vaporization-fast gas chromatography-quadrupole mass spectrometry.	2010 Jul	20495907
Relating skin sensitizing potency to chemical reactivity: reactive Michael acceptors inhibit NF-κB signaling and are less sensitizing than S(N)Ar- and S(N)2- reactive chemicals.	2011 Nov 21	22023385

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:11:39 UTC 2023` Edited by `admin` on `Fri Dec 15 18:11:39 UTC 2023`
Record UNII	0TTP6YT2T3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL HEPTINE CARBONATE

Common Name

English

METHYL HEPT-1-YNE-1-CARBOXYLATE

Systematic Name

English

METHYL 2-OCTYNOATE

Official Name

English

NSC-72098

Code

English

METHYL OCT-2-YNOATE

Systematic Name

English

METHYL 2-OCTYNOATE [FHFI]

Common Name

English

METHYL 2-OCTYNATE

Systematic Name

English

METHYL 2-OCTYNOATE [FCC]

Common Name

English

VERT DE VIOLETTE, ARTIFICIAL

Common Name

English

METHYL PENTYLACETYLENECARBOXYLATE

Systematic Name

English

2-OCTYNOIC ACID, METHYL ESTER

Common Name

English

FOLIONE

Common Name

English

METHYLHEPTINE CARBONATE

Common Name

English

FEMA NO. 2729

Code

English

METHYL 2-OCTYNOATE [INCI]

Common Name

English

Classification Tree Code System Code

EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION

SCCS/1459/11