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Basic Information
CAS No.: 1843-05-6
Name: Octabenzone
Molecular Structure:
Molecular Structure of 1843-05-6 (Octabenzone)
Formula: C21H26O3
Molecular Weight: 326.436
Synonyms: Benzophenone,2-hydroxy-4-(octyloxy)- (6CI,8CI);2-Hydroxy-4-(octyloxy)benzophenone;2-Hydroxy-4-octoxybenzophenone;4-(Octyloxy)-2-hydroxybenzophenone;ADKStab 1413;Adeka 1413;Advastab 46;Anti-UV P;Asahi 1413;Benzophenone 12;Chimassorb 81;Cyasorb UV531;Cyasorb UV 532;Lowilite 22;NSC 163400;Rhodialux P;Seesorb 102;Specta-Sorb UV 531;Sumisorb 130;UV 1;UV 531;Uvinul M 408;Viosorb 130;UV absorber-531;
EINECS: 217-421-2
Density: 1.068 g/cm3
Melting Point: 47-49 °C(lit.)
Boiling Point: 457.9 °C at 760 mmHg
Flash Point: 155.1 °C
Appearance: Light Yellow Crystal
Hazard Symbols: IrritantXi,DangerousN
Risk Codes: 36/37/38-50/53
Safety: 26-36-61-60
Transport Information: UN 3077 9/PG 3
PSA: 46.53000
LogP: 5.36250
Synthetic route
131-56-6

2,4-dihydroxybenzophenone

111-85-3

1-Chlorooctane

Cyasorb UV531

Cyasorb UV531

Conditions
ConditionsYield
With sodium carbonate; potassium carbonate at 98 - 120℃; Temperature;95.3%
With sodium carbonate In N,N-dimethyl-formamide at 70℃; for 8h; Temperature; Reagent/catalyst; Solvent;95%
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Chemistry

Molecular structure of Octabenzone (CAS NO.1843-05-6) is:

Product Name: Octabenzone
CAS Registry Number: 1843-05-6
IUPAC Name: (2-hydroxy-4-octoxyphenyl)-phenylmethanone
Molecular Weight: 326.42934 [g/mol]
Molecular Formula: C21H26O3
XLogP3-AA: 6.8
H-Bond Donor: 1
H-Bond Acceptor: 3 
EINECS: 217-421-2
Melting Point: 47-49 °C(lit.)
Surface Tension: 41.8 dyne/cm
Density: 1.068 g/cm3
Flash Point: 155.1 °C
Enthalpy of Vaporization: 74.57 kJ/mol
Boiling Point: 457.9 °C at 760 mmHg
Vapour Pressure: 5.25E-09 mmHg at 25°C
Product Categories: Industrial/Fine Chemicals;Additives for Plastic;Aromatic Benzophenones & Derivatives (substituted);Organics;Polymer Additives;Polymer Science;Stabilizers

Uses

 Octabenzone (CAS NO.1843-05-6) can be used to protect polymers (e.g., polyethylene, polypropylene, polyvinylchloride) against damage by UV light.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 13gm/kg (13000mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 648, 1986.
rabbit LD50 skin > 10gm/kg (10000mg/kg)   Food and Cosmetics Toxicology. Vol. 6, Pg. 199, 1968.
rat LD50 oral > 10gm/kg (10000mg/kg)   Food and Cosmetics Toxicology. Vol. 6, Pg. 199, 1968.

Safety Profile

Hazard Codes: IrritantXi, DangerousN
Risk Statements: 36/37/38-50/53 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-36-61-60 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S60:This material and its container must be disposed of as hazardous waste. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3
WGK Germany: 1
RTECS: DJ1595000

Specification

 Octabenzone , its cas register number is 1843-05-6. It also can be called Ultraviolet Absorber UV-531 ; 2-Hydroxy-4-n-octoxybenzophenone ; 2-Hydroxy-4-n-octyloxybenzophenone ; 2'-Hydroxy-4'-n-octyloxybenzophenone ; 2-Hydroxy-4-(octyloxy)benzophenone ; [2-Hhydroxy-4-(octyloxy)phenyl]phenylmethanone .It is a is a UV absorber/screener.