MANDELIC ACID, alpha-(3-METHYLBUT-1-YN-3-ENYL)-, 1-METHYL-4-PIPERIDYL ESTER

Modify Date: 2025-09-13 08:55:35

MANDELIC ACID, alpha-(3-METHYLBUT-1-YN-3-ENYL)-, 1-METHYL-4-PIPERIDYL ESTER structure	Common Name	MANDELIC ACID, alpha-(3-METHYLBUT-1-YN-3-ENYL)-, 1-METHYL-4-PIPERIDYL ESTER
	CAS Number	62869-67-4	Molecular Weight	313.39100
	Density	1.15g/cm3	Boiling Point	457.6ºC at 760 mmHg
	Molecular Formula	C₁₉H₂₃NO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	230.5ºC

Name	(1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
Synonym	More Synonyms

Density	1.15g/cm3
Boiling Point	457.6ºC at 760 mmHg
Molecular Formula	C₁₉H₂₃NO₃
Molecular Weight	313.39100
Flash Point	230.5ºC
Exact Mass	313.16800
PSA	49.77000
LogP	2.02900
Index of Refraction	1.577
InChIKey	HNFSQQPBCHYZKE-UHFFFAOYSA-N
SMILES	C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)c1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO7650000

CHEMICAL NAME :: Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 1-methyl-4-piperidyl ester

CAS REGISTRY NUMBER :: 62869-67-4

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H23-N-O3

MOLECULAR WEIGHT :: 313.43

WISWESSER LINE NOTATION :: T6NTJ A1 DOVXQR&1UU1Y1&U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 25 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11396

1-Methyl-4-piperidyl phenyl(3-methyl-but-1-yne-3-enyl)glycolate

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