277509
2-辛炔酸甲酯
99%
别名:
Methyl heptine carbonate, NSC 72098
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关于此项目
线性分子式:
CH3(CH2)4C≡CCO2CH3
化学文摘社编号:
分子量:
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
存储类别
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
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.
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
全球贸易项目编号
| 货号 | GTIN |
|---|---|
| 277509-25ML | 04061836691691 |