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Chemical Product CAS:1843-05-62-hydroxy-4-(octyloxy)benzophenone

CAS:1843-05-6
2-hydroxy-4-(octyloxy)benzophenone

  • CAS No:

    1843-05-6
  • Name:

    2-hydroxy-4-(octyloxy)benzophenone
  • Molecular Formula:

    C21H26O3
  • Molecular Weight:

    326.43
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2-hydroxy-4-(octyloxy)benzophenone ( CASNO:1843-05-6 )

Identification and Related Records
Name:
2-hydroxy-4-(octyloxy)benzophenone
CAS Registry number:
1843-05-6
Synonyms:
[2-Hhydroxy-4-(octyloxy)phenyl]phenylmethanone
2-HYDROXY-4-N-OCTOXYBENZOPHENONE
2-HYDROXY-4-N-OCTYLOXYBENZOPHENONE
2-HYDROXY-4-(OCTYLOXYL)-BENZOPHENONE
CHIMASSORB 81
Octabenzone
UV-531
Benzophenone-12
2-Hydroxy-4-Octyloxy Benzophenone
Ultraviolet absorber UV-531
2-Hydroxy-4-n-octoxy Benzophenone
Benzophenone UV Absorber
2-Hydroxy-4-n-octoybenzophenone
BP-12
Ultraviolet absorbent UV-531
2-hydroxy-4-(octyloxy)benzophenone (Benzophenone-12)
BHSORB-531
2'-Hydroxy-4'-n-octyloxybenzophenone
[2-Hhydroxy-4-(octyloxy)phenyl]phenylmethanone Benzophenone-12
EINECS(EC#):
217-421-2
Molecular Formula:
C21H26O3
Molecular Weight:
326.43
Inchi:
InChI=1/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3
InChIKey:
QUAMTGJKVDWJEQ-UHFFFAOYSA-N
Canonical SMILES:
CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
Chemical and Physical Properties
Appearance:
Light Yellow Crystal
Density:
1.160g/cm3
Melting Point:
47-49℃
Boiling Point:
457.9 °C at 760 mmHg
Vapour:
5.25E-09mmHg at 25°C
Refractive Index:
1.547
Flash Point:
155.1 °C
Color/Form:
CRYSTALS
Computed Properties:
Molecular Weight:326.42934 [g/mol]
Molecular Formula:C21H26O3
XLogP3-AA:6.8
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:10
Tautomer Count:5
Exact Mass:326.188195
MonoIsotopic Mass:326.188195
Topological Polar Surface Area:46.5
Heavy Atom Count:24
Formal Charge:0
Complexity:349
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:3
Feature 3D Ring Count:2
Effective Rotor Count:10
Conformer Sampling RMSD:1
CID Conformer Count:212
Safety and Handling
Hazard Codes:
Xi:Irritant
Risk Statements:
R36/37/38
Safety Statements:
S26;S36
Safety:
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
PackingGroup:
Z01
Transport:
UN 3077 9/PG 3
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.
Use and Manufacturing
Use and Manufacturing:
Methods of Manufacturing

ARMITAGE ET AL, US PATENT 3,098,842 (1963 TO DUPONT).
REACTION OF 2,4-DIHYDROXYBENZOPHENONE WITH N-OCTYL BROMIDE OR N-OCTYL CHLORIDE
U.S. Exports

(1979) ND
(1981) ND
U.S. Imports

(1979) ND
(1981) ND
U.S. Production

(1979) ND
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
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