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Merck
CN

277509

Sigma-Aldrich

2-辛炔酸甲酯

99%

别名:

Methyl heptine carbonate, NSC 72098

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About This Item

线性分子式:
CH3(CH2)4C≡CCO2CH3
CAS号:
分子量:
154.21
Beilstein:
1756887
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

质量水平

检测方案

99%

形式

liquid

折射率

n20/D 1.446 (lit.)

bp

217-220 °C (lit.)

密度

0.92 g/mL at 25 °C (lit.)

SMILES字符串

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

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一般描述

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.

象形图

Exclamation markEnvironment

警示用语:

Warning

危险声明

危险分类

Aquatic Acute 1 - Aquatic Chronic 3 - Skin Sens. 1A

WGK

WGK 2

闪点(°F)

192.2 °F

闪点(°C)

89 °C

个人防护装备

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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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
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.
Allergic contact dermatitis from methyl heptine and methyl octine carbonates.
J S English et al.
Contact dermatitis, 18(3), 174-175 (1988-03-01)
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

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