CAS 26685-57-4|5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-

Introduction：Basic information about CAS 26685-57-4|5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA

Common Name	5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
CAS Number	26685-57-4	Molecular Weight	395.57700
Density	1.07g/cm3	Boiling Point	517.8ºC at 760mmHg
Molecular Formula	C₂₆H₃₇NO₂	Melting Point	/
MSDS	/	Flash Point	267ºC

Names

Name	5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol

Chemical & Physical Properties

Density	1.07g/cm3
Boiling Point	517.8ºC at 760mmHg
Molecular Formula	C₂₆H₃₇NO₂
Molecular Weight	395.57700
Flash Point	267ºC
Exact Mass	395.28200
PSA	32.70000
LogP	5.91350
Vapour Pressure	2.42E-11mmHg at 25°C
Index of Refraction	1.565
InChIKey	PNEYWTKVWJBOMD-UHFFFAOYSA-N
SMILES	C#CCN1CCC2=C(C1)c1c(O)cc(C(C)C(C)CCCCC)cc1OC2(C)C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ3170000

CHEMICAL NAME :: 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl )- 10-hydroxy-2-(2-propynyl)-

CAS REGISTRY NUMBER :: 26685-57-4

LAST UPDATED :: 199107

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C26-H37-N-O2

MOLECULAR WEIGHT :: 395.64

WISWESSER LINE NOTATION :: T B666 DN IO HHT&&J D2UU1 H1 H1 LY1&Y5&1 NQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 900 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,454,1976

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2500 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,454,1976

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 40 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia Behavioral - irritability

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,445,1976

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