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277509

Methyl 2-octynoate

Name: Methyl 2-octynoate
Brand: ALDRICH

99%

Synonym(s):

Methyl heptine carbonate, NSC 72098

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About This Item

Linear Formula:

CH₃(CH₂)₄C≡CCO₂CH₃

CAS Number:

111-12-6

Molecular Weight:

154.21

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24856766

EC Number:

203-836-6

Beilstein/REAXYS Number:

1756887

MDL number:

MFCD00009530

Assay:

99%

Form:

liquid

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Properties

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

Description

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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pictograms

GHS07,GHS09

signalword

Warning

hcodes

H317,H410

pcodes

P261 - P272 - P273 - P280 - P302 + P352 - P333 + P313

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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[Methyl heptine carbonate skin test in lung cancer--correlation with stage and prognosis].

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

Nickel-catalyzed regioselective carbocyclization of ortho-halophenyl ketones with propiolates: an efficient route to disubstituted indenols.

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.

[Cutaneous delayed hypersensitivity to methyl hepatine carbonate in pulmonary tuberculosis].

I Takanami

Nihon Kyobu Shikkan Gakkai zasshi, 24(10), 1066-1070 (1986-10-01)

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Global Trade Item Number

SKU	GTIN
277509-25ML	04061836691691