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
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.	2011-11-21	22023385
Determination of suspected allergens in cosmetic products by headspace-programmed temperature vaporization-fast gas chromatography-quadrupole mass spectrometry.	2010-07	20495907
Active sensitization and contact allergy to methyl 2-octynoate.	2010-02	20136892
Is there evidence that methyl heptine carbonate causes allergic contact dermatitis?	2006	17162413
Synthesis of seven-membered lactones via nickel- and zinc-catalyzed highly regio- and stereoselective cyclization of 2-iodobenzyl alcohols with propiolates.	2002-05-22	12010023

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:07:20 GMT 2025` Edited by `admin` on `Mon Mar 31 19:07:20 GMT 2025`
Record UNII	0TTP6YT2T3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL 2-OCTYNOATE

Preferred Name

English

METHYL HEPTINE CARBONATE

Common Name

English

METHYL HEPT-1-YNE-1-CARBOXYLATE

Systematic 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

Classification Tree Code System Code

EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION

SCCS/1459/11