Detail of "58454-07-2"

MSDS Download
CAS Number:
58454-07-2
Name:
CAPROIC ACID-1-13C
Molecular Structure:
Molecular Weight:
117.17
Synonyms:
HEXANOIC-1-13C ACID;CAPROIC ACID-1-13C;HEXANOIC-1-13C ACID, 99 ATOM % 13C;Hexanoic Acid-1-13C
Melting Point:
−3 °C(lit.)
Boiling Point:
202-203 °C(lit.)
Hazard Symbols:
Risk Codes:
20/21/22-34
Safety:
Hazard Codes C
Risk Statements 20/21/22-34
Safety Statements 23-26-27-36/37/39-45
RIDADR UN 2829 8/PG 3

WGK Germany 3

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Determination of Long-Range 13C-13C Dipolar Couplings Using a 13C Labeled Liquid Crystal: Determination of Long-Range 13C-13C Dipolar Couplings Using a 13C Labeled Liquid Crystal. Tan, Chibing; Fung, B. M. (Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK 73019-3051, USA). Journal of Physical Chemistry A, 107(19), 3966-3969 (English) 2003 American Chemical Society. 58454-07-2 is also in the experiment. CODEN: JPCAFH. ISSN: 1089-5639. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Section cross-reference(s): 77 A liq. crystal labeled with a single 13C nucleus, 4'-cyano-4-biphenyl hexanoate-1-13C, has been synthesized for the purpose of measuring long-range 13C-13C dipolar coupling consts. The proton-decoupled 13C spectrum of this compd. gives eleven 13C-13C dipolar coupling consts. for carbon nuclei ranging from one to seven bonds away from the labeled 13C position. In addn., although 1H-13C dipolar coupling consts. for carboxyl carbons have never been detd. from the 2D technique of proton encoded local field spectroscopy using naturally abundant liq. crystals, three such coupling consts. were obtained using the 13C-enriched compd. 4'-cyano-4-biphenyl hexanoate-1-13C. .