Name: ALKANNIN
SKU: 23444-65-7

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Basic Information

Molecular Structure:
CAS No.:	23444-65-7
Name:	ALKANNIN

Formula:	C16H16 O5
Molecular Weight:	288.3
Synonyms:	1,4-Naphthalenedione,5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-;1,4-Naphthalenedione,5,8-dihydroxy-6-[(1S)-1-hydroxy-4-methyl-3-pentenyl]- (9CI);1,4-Naphthoquinone, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-(8CI);Alkanet extract;Alkanet extract, inspissated;Alkanna red;Alkannin;Anchusa acid;Anchusin;C.I. 75530;C.I. Natural Red 20;
Density:	1.1701 (rough estimate)
Melting Point:	149°C
Boiling Point:	350.53°C (rough estimate)
Hazard Symbols:
Risk Codes:	22
Safety:	Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA:	94.83000
LogP:	2.12040

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Chemistry

IUPAC Name: 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
Synonyms of (−)-(1-Hydroxy-3-isohexenyl)naphth-azarine (CAS NO.23444-65-7): (-)-5,8-Dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione ; 1,4-Naphthalenedione, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (-)- ; 1,4-Naphthalenedione, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (-)- ; 1,4-Naphthalenedione, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (S)- ; 5,8-Dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, (S)- ; Alcannin extract ; Alkanet extract, inspissated ; Alkannin
Product Categories: Anthraquinones, Hydroquinones and Quinones
CAS NO: 23444-65-7
Molecular Formula: C₁₆H₁₆O₅
Molecular Weight : 288.2952
Molecular Structure:
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 6
Polar Surface Area: 61.83 Å²
Index of Refraction: 1.642
Molar Refractivity: 75.86 cm³
Molar Volume: 209.9 cm³
Surface Tension: 65.1 dyne/cm
Density: 1.373 g/cm³
Flash Point: 311 °C
Enthalpy of Vaporization: 89.61 kJ/mol
Boiling Point: 567.4 °C at 760 mmHg
Vapour Pressure: 1.04E-13 mmHg at 25°C

Uses

(−)-(1-Hydroxy-3-isohexenyl)naphth-azarine (CAS NO.23444-65-7) is used as intermediate in organic synthesis.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	3gm/kg (3000mg/kg)		Nahrung. Chemistry, Biochemistry, Microbiology, Technology, Nutrition. Vol. 15, Pg. 505, 1971.
rat	LD50	oral	> 1gm/kg (1000mg/kg)		Nahrung. Chemistry, Biochemistry, Microbiology, Technology, Nutrition. Vol. 15, Pg. 505, 1971.

Safety Profile

Risk Statements: 22
R22: (−)-(1-Hydroxy-3-isohexenyl)naphth-azarine (CAS NO.23444-65-7) is harmful if swallowed.
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.

Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.