277509

Methyl 2-octynoate

99%

• Synonym(s): Methyl heptine carbonate, NSC 72098
• Linear Formula: CH₃(CH₂)₄C≡CCO₂CH₃
• CAS Number: 111-12-6
• Molecular Weight: 154.21
• Beilstein: 1756887
• EC Number: 203-836-6
• MDL number: MFCD00009530
• UNSPSC Code: 12352100
• PubChem Substance ID: 24856766
• NACRES: NA.22

Properties

• Quality Level: 100
• 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.

Safety Information

• Pictograms: GHS07,GHS09
• Signal Word: Warning
• Hazard Statements: H317,H410
• Precautionary Statements: P261 - P272 - P273 - P280 - P302 + P352 - P333 + P313
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 3 - Skin Sens. 1A
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 192.2 °F - closed cup
• Flash Point(C): 89 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves