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Substance Name: Octabenzone [USAN:INN]
RN: 1843-05-6
UNII: 73P3618V2E
InChIKey: QUAMTGJKVDWJEQ-UHFFFAOYSA-N

Classification Code

  • Ultraviolet Screen

Molecular Formula

  • C21-H26-O3

Molecular Weight

  • 326.4334
 
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Names and Synonyms

Name of Substance

  • (2-Hydroxy-4-(octyloxy)phenyl)phenylmethanone
  • Benzophenone-12
  • Octabenzone
  • Octabenzone [USAN:INN]
  • UV Absorber HOB

Synonyms

  • (2-Hydroxy-4-(octyloxy)phenyl)phenylmethanone
  • 2-Benzoyl-5-octyloxyphenol
  • 2-Hydorxy-4-octoxybenzophenone
  • 2-Hydroxy-4-(n-octoxy)benzophenone
  • 2-Hydroxy-4-(n-octyloxy)benzophenone
  • 2-Hydroxy-4-(octyloxy)benzophenon
  • 2-Hydroxy-4-(octyloxy)benzophenone
  • 2-Hydroxy-4-octoxybenzophenone
  • 2-Hydroxy-4-octyloxybenzophenone
  • 2-Hydroxy-4-oktyloxybenzofenon
  • 2-Hydroxy-4-oktyloxybenzofenon [Czech]
  • 4-(Octyloxy)-2-hydroxybenzophenone
  • 4-n-Octyloxy-2-hydroxybenzophenone
  • 4-Octoxy-2-hydroxybenzophenone
  • Aduvex 248
  • Advastab 46
  • Anti-UV P
  • Benzon OO
  • Benzophenone 12
  • Benzophenone, 2-hydroxy-4-(octyloxy)-
  • Biosorb 130
  • BRN 1915198
  • Carstab 700
  • Chimassorb 81
  • Cyasorb UV 531
  • EC 217-421-2
  • EINECS 217-421-2
  • HSDB 5858
  • Mark 1413
  • Methanone, (2-hydroxy-4-(octyloxy)phenyl)phenyl-
  • NSC 163400
  • Octabenzona
  • Octabenzona [INN-Spanish]
  • Octabenzone
  • Octabenzonum
  • Octabenzonum [INN-Latin]
  • Rhodialux P
  • Sanduvor 3035
  • Seikalizer E
  • Spectra-sorb UV 531
  • Sumisorb 130
  • UF 4
  • UNII-73P3618V2E
  • UV 1
  • UV 1 (ultroviolet absorber)
  • UV 531
  • UVA 1
  • Uvinul 408
  • Uvinul M 408
  • Viosorb 130
  • Zislizer E

Systematic Names

  • Benzophenone, 2-hydroxy-4-(octyloxy)-
  • Methanone, (2-hydroxy-4-(octyloxy)phenyl)phenyl-
  • Octabenzone

Superlist Names

  • 2-Hydroxy-4-n-octyloxybenzophenone
  • Benzophenone, 2-hydroxy-4-(octyloxy)-

Registry Numbers

CAS Registry Number

  • 1843-05-6

FDA UNII

  • 73P3618V2E

Other Registry Numbers

  • 103843-15-8
  • 478367-73-6
  • 53571-69-0
  • 58392-23-7

System Generated Number

  • 0001843056

Structure Descriptors

InChI

1S/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

Smiles

CCCCCCCCOc1ccc(c(c1)O)C(=O)c2ccccc2

Toxicity

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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 48.5 deg C   EXP
log P (octanol-water) 6.960 (none)   EST
Atmospheric OH Rate Constant 2.18E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.