277509
Methyl 2-octynoate
99%
Synonym(s):
Methyl heptine carbonate, NSC 72098
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About This Item
Linear Formula:
CH3(CH2)4C≡CCO2CH3
CAS Number:
Molecular Weight:
154.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-836-6
Beilstein/REAXYS Number:
1756887
MDL number:
Assay:
99%
Form:
liquid
assay
99%
form
liquid
refractive index
n20/D 1.446 (lit.)
bp
217-220 °C (lit.)
density
0.92 g/mL at 25 °C (lit.)
functional group
ester
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
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.
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signalword
Warning
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 3 - Skin Sens. 1A
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
192.2 °F - closed cup
flash_point_c
89 °C - closed cup
ppe
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
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.
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