277509

Sigma-Aldrich

Methyl 2-octynoate

99%

Synonym(s):
Methyl heptine carbonate, NSC 72098
Linear Formula:
CH3(CH2)4C≡CCO2CH3
CAS Number:
Molecular Weight:
154.21
Beilstein/REAXYS Number:
1756887
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

99%

refractive index

n20/D 1.446 (lit.)

bp

217-220 °C (lit.)

density

0.92 g/mL at 25 °C (lit.)

SMILES string

CCCCCC#CC(=O)OC

InChI

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

InChI key

FRLZQXRXIKQFNS-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

General description

Methyl 2-octynoate has been quantitated as suspected allergen in cosmetic products by headspace-programmed temperature vaporization-fast gas chromatography-quadrupole mass spectrometry. It participates in nickel-catalyzed carbocyclization of 2-iodoacetophenone to yield a 2,3-disubstituted indenol.

Packaging

25 mL in glass bottle

Pictograms

Exclamation markEnvironment

Signal Word

Warning

Hazard Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

WGK Germany

WGK 2

Flash Point(F)

192.2 °F - closed cup

Flash Point(C)

89 °C - closed cup

Miguel del Nogal Sánchez et al.
Analytical and bioanalytical chemistry, 397(6), 2579-2591 (2010-05-25)
In the present work, a strategy for the qualitative and quantitative analysis of 24 volatile compounds listed as suspected allergens in cosmetics by the European Union is reported. The list includes benzyl alcohol, limonene, linalool, methyl 2-octynoate, beta-citronellol, geraniol, citral...
I Takanami et al.
Gan no rinsho. Japan journal of cancer clinics, 30(4), 340-343 (1984-04-01)
Results of methyl heptine carbonate skin tests were compared with DNCB skin test results in 155 patients with chest diseases. Reactions to methyl heptine carbonate and DNCB were similar in 142 of 155 patients (92%). Forty-two lung cancer patients and...
Jurij J Hostynek et al.
Cutaneous and ocular toxicology, 25(4), 259-271 (2006-12-13)
The fragrance material methyl heptine carbonate has been cited as a moderately frequent cause of cosmetics-related allergic contact dermatitis. A review of the literature shows that when the underlying clinical data are analyzed, there is only one published case where...
[Cutaneous delayed hypersensitivity to methyl hepatine carbonate in pulmonary tuberculosis].
I Takanami
Nihon Kyobu Shikkan Gakkai zasshi, 24(10), 1066-1070 (1986-10-01)
Dinesh Kumar Rayabarapu et al.
Chemical communications (Cambridge, England), (9)(9), 942-943 (2002-07-19)
Carbocylization of o-halophenyl ketones with propiolates in the presence of Ni(dppe)Br2 and Zn powder in acetonitrile at 80 degrees C afforded the corresponding 2,3-disubstituted indenols.

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service

Social Media

LinkedIn icon
Twitter icon
Facebook Icon
Instagram Icon

MilliporeSigma

Research. Development. Production.

We are a leading supplier to the global Life Science industry with solutions and services for research, biotechnology development and production, and pharmaceutical drug therapy development and production.

© 2021 Merck KGaA, Darmstadt, Germany and/or its affiliates. All Rights Reserved.

Reproduction of any materials from the site is strictly forbidden without permission.