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91-44-1

Basic Information
CAS No.: 91-44-1
Name: 7-Diethylamino-4-methylcoumarin
Article Data: 12
Molecular Structure:
Molecular Structure of 91-44-1 (7-Diethylamino-4-methylcoumarin)
Formula: C14H17NO2
Molecular Weight: 231.294
Synonyms: Coumarin,7-(diethylamino)-4-methyl- (6CI,7CI,8CI);4-Methyl-7-(diethylamino)coumarin;7-(Diethylamino)-4-methyl-2H-1-benzopyran-2-one;7-(Diethylamino)-4-methylcoumarin;Aclarat 8678;Blancol WNS;BlancophorAW;Blancophor FFG;Blankophor SOL;C 47;C 47 (coumarin derivative);C.I.551100;C.I. Fluorescent Brightener 140;C.I. Fluorescent Brightener 52;Calcofluor White RW;Calcofluor White SD;Coumarin 47;DEMC;Fluorescent Brightener 140;Fluorescent Brightener 52;HR 1;UvitexWGS;Whitefluor B;Whitex WS;Hiltamine Arctic White SOL;Leucophor WS;Leukophor WS;NSC61830;Neo-Super HR 1;Rylux VPA-T;Tinopal SWN;
EINECS: 202-068-9
Density: 1.122 g/cm3
Melting Point: 72-75 °C
Boiling Point: 391.7 °C at 760 mmHg
Flash Point: 152 °C
Solubility: slightly soluble in water
Appearance: light tan powder
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-20/21
Safety: 37/39-26
PSA: 33.45000
LogP: 2.94760
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Chemistry

IUPAC Name: 7-(Diethylamino)-4-methylchromen-2-one
Synonyms of 7-Diethylamino-4-methylcoumarin (CAS NO.91-44-1): 2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl- ; 4-Methyl-7-diethylaminocoumarin ; 7-(Diethylamino)-4-methyl-2H-1-benzopyran-2-one ; 7-Diethylamino-4-methylcoumarin ; Diethylaminomethylcoumarin Blancophor AW ; Coumarin, 7-(diethylamino)-4-methyl-
CAS NO: 91-44-1
Molecular Formula: C14H17NO2
Molecular Weight : 231.2903
Molecular Structure:
EINECS: 202-068-9
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.574
Molar Refractivity: 68.04 cm3
Molar Volume: 206 cm3
Surface Tension: 42.6 dyne/cm
Density: 1.122 g/cm3
Flash Point: 152 °C
Enthalpy of Vaporization: 64.13 kJ/mol
Boiling Point: 391.7 °C at 760 mmHg
Vapour Pressure: 2.43E-06 mmHg at 25°C
Melting Point: 72-75 °C
Appearance: 7-Diethylamino-4-methylcoumarin (CAS NO.91-44-1) is light tan powder.
Water Solubility: slightly soluble
Stability: Stable. Incompatible with strong oxidizing agents.

Uses

 7-Diethylamino-4-methylcoumarin (CAS NO.91-44-1) is applied to whitening, brightening of wool, silk, nylon and other fibers and fur ,and also suitable for plastic whitening and brightening.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03230,
mouse LD50 oral 1780mg/kg (1780mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
rat LD50 oral 5gm/kg (5000mg/kg)   MVC-Report. Vol. 2, Pg. 193, 1973.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes:  HarmfulXn
Risk Statements: 36/37/38-20/21
R36/37/38: Irritating to eyes, respiratory system and skin. 
R20/21: Harmful by inhalation and in contact with skin.
Safety Statements: 37/39-26
S37/39: Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RTECS: GN6370000
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.

Specification

 7-Diethylamino-4-methylcoumarin (CAS NO.91-44-1) is a lactone (behaves as an ester) and an amine. Gives bright blue-white fluorescence in very dilute solutions. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.