Methyl 2-octynoate

ALDRICH/277509 - 99%

Synonym: Methyl heptine carbonate; NSC 72098

CAS Number: 111-12-6
Empirical Formula (Hill Notation): C₉H₁₄O₂
Molecular Weight: 154.21
EC Number: 203-836-6
MDL Number: MFCD00009530
Linear Formula: CH₃(CH₂)₄C≡CCO₂CH₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-277509-25ML	25 mL	$143.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99%
bp	217-220 °C (lit.)
density	0.92 g/mL at 25 °C (lit.)
form	liquid
InChI	1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3
InChI key	FRLZQXRXIKQFNS-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.446 (lit.)
SMILES string	CCCCCC#CC(=O)OC

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.
Packaging:	25 mL in glass bottle

Symbol	GHS07,GHS09
Signal word	Warning
Hazard statements	H317 - H410
Precautionary statements	P261 - P272 - P273 - P280 - P302 + P352 - P333 + P313
Hazard Codes	Xn
Risk Statements	22-38
WGK Germany	WGK 2
Flash Point(F)	192.2 °F - closed cup
Flash Point(C)	89 °C - closed cup

Purity	99%
bp	217-220 °C (lit.)
Density	0.92 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.446 (lit.)
UNSPSC	12352100

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