Octabenzone

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  • Identifiers

    CAS number
    1843-05-6

    Molecular formula
    C21H26O3

    SMILES
    CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 65.3%
    Sweet 63.71%
    Balsamic 61.07%
    Spicy 43.91%
    Fruity 35.23%
    Herbal 34.59%
    Fresh 29.85%
    Vanilla 25.33%
    Warm 24.69%
    Rose 24.51%

     

    Flavor
    Herbal 45.66%
    Bitter 39.91%
    Woody 29.35%
    Balsam 28.83%
    Spicy 23.41%
    Lovage 21.66%
    Warm 21.11%
    Celery 20.35%
    Valerian 20.3%
    Ethyl benzoate 20.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    8.77 (weak base)

    Molecular weight
    326.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 45-46 °C

    Boiling point

    • >300 °C decomposes

    Flash point

    • 189.4 ˚C est.

    Solubility expt.

    • In water, <0.001 mg/L at 20 °C, pH 6 /OECD Guideline 105 (Water Solubility)/

  • Synonyms

    • Octabenzone
    • Benzophenone-12
    • 2-HYDROXY-4-(OCTYLOXY)BENZOPHENONE
    • Benzophenone 12
    • Benzon OO
    • 2-Hydroxy-4-octoxybenzophenone
    • Sumisorb 130
    • Rhodialux P
    • Seikalizer E
    • Zislizer E
    • Octabenzona
    • Carstab 700
    • Viosorb 130
    • 2-Benzoyl-5-(octyloxy)phenol
    • Sanduvor 3035
    • Aduvex 248
    • Uvinul 408
    • Uvinul M 408
    • 4-(Octyloxy)-2-hydroxybenzophenone
    • 2-Hydroxy-4-(n-octoxy)benzophenone
    • 4-Octoxy-2-hydroxybenzophenone
    • Octabenzonum
    • UV 531
    • Biosorb 130
    • Mark 1413
    • 2-Hydroxy-4-(n-octyloxy)benzophenone
    • 2-Benzoyl-5-octyloxyphenol
    • Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-
    • UV Absorber HOB
    • Lowilite 22
    • Octabenzone [USAN:INN]
    • Octabenzonum [INN-Latin]
    • Octabenzona [INN-Spanish]
    • 4-n-Octyloxy-2-hydroxybenzophenone
    • UVA 1
    • UV 1 (ultroviolet absorber)
    • Octabenzon
    • 2-Hydorxy-4-octoxybenzophenone
    • 2-Hydroxy-4-oktyloxybenzofenon
    • NSC 163400
    • DTXSID9027441
    • HSDB 5858
    • 2-Hydroxy-4-(octyloxy)benzophenon
    • (2-hydroxy-4-octoxyphenyl)-phenylmethanone
    • EINECS 217-421-2
    • 4-(n-Octyloxy)-2-hydroxybenzophenone
    • Hostavin ARO 8
    • (2-Hydroxy-4-(octyloxy)phenyl)phenylmethanone
    • NSC-163400
    • 2-Hydroxy-4-oktyloxybenzofenon [Czech]
    • BRN 1915198
    • Octabenzone (USAN)
    • Methanone, (2-hydroxy-4-(octyloxy)phenyl)phenyl-
    • UNII-73P3618V2E
    • Specta-srob UV 531
    • OCTABENZONE [MI]
    • [2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone
    • OCTABENZONE [INN]
    • OCTABENZONE [HSDB]
    • OCTABENZONE [USAN]
    • UV 1 (ultraviolet absorber)
    • DTXCID107441
    • 2-Hydroxy-4-(octoxy)benzophenone
    • 4-(Octoxy)-2-hydroxybenzophenone
    • EC 217-421-2
    • Octabenzonum (INN-Latin)
    • Octabenzona (INN-Spanish)
    • 217-421-2
    • AntiUV P
    • 2Benzoyl5octyloxyphenol
    • SpectraSorb UV 531
    • RefChem:167545
    • 2Hydorxy4octoxybenzophenone
    • 2Hydroxy4octoxybenzophenone
    • 2Hydroxy4oktyloxybenzofenon
    • 4Octoxy2hydroxybenzophenone
    • BENZON 00
    • 2Hydroxy4octyloxybenzophenone
    • 2Hydroxy4noctyloxybenzophenone
    • 4nOctyloxy2hydroxybenzophenone
    • 2Hydroxy4(noctoxy)benzophenone
    • 2Hydroxy4(octyloxy)benzophenon
    • 2Hydroxy4(octyloxy)benzophenone
    • 4(Octyloxy)2hydroxybenzophenone
    • UNII73P3618V2E
    • 2Hydroxy4(noctyloxy)benzophenone
    • BENZOPHENONE-12 [INCI]
    • Benzophenone, 2hydroxy4(octyloxy)
    • (2Hydroxy4(octyloxy)phenyl)phenylmethanone
    • Methanone, (2hydroxy4(octyloxy)phenyl)phenyl
    • METHANONE, (2-HYDROXY-4-(OCTYLOXY)PHENYL)PHENYL-(9CI)
    • QUAMTGJKVDWJEQ-UHFFFAOYSA-N
    • 1843-05-6
    • 2-Hydroxy-4-n-octyloxybenzophenone
    • (2-Hydroxy-4-(octyloxy)phenyl)(phenyl)methanone
    • Chimassorb 81
    • Spectra-Sorb UV 531
    • Cyasorb UV 531
    • 2-Hydroxy-4-octyloxybenzophenone
    • Advastab 46
    • Benzophenone, 2-hydroxy-4-(octyloxy)-
    • UF 4
    • UV 1
    • Anti-UV P
    • 2-hydroxy-4-n-octoxybenzophenone
    • C21H26O3
    • MFCD00027327
    • UV-531
    • (2-hydroxy-4-octoxy-phenyl)-phenyl-methanone
    • NSC163400
    • 73P3618V2E
    • NCGC00164173-02
    • [2-hydroxy-4-(octyloxy)phenyl](phenyl)methanone
    • 2-?Hydroxy-?4-?(octyloxy)?benzophenone
    • CAS-1843-05-6
    • 2-hydroxy-4-n-octoxy benzophenone
    • 2-hydroxy-4-(octyloxy) benzophenone
    • SCHEMBL27387
    • MLS004734641
    • BIDD:ER0400
    • orb1705828
    • CHEMBL1977129
    • SCHEMBL29351273
    • MSK3451
    • CHEBI:135390
    • 2-hydroxy-4-n-octoxybenzo-phenone
    • HY-B1712
    • 1843-05-6

  • Applications

    Octabenzone (CAS 1843-05-6) is used primarily as a UV absorber and optical stabilizer in polymers and plastics, helping to reduce UV-driven degradation in films, packaging, and technical materials. It is also employed as an additive in coatings and inks to enhance UV resistance. It may be incorporated into adhesive and sealant systems to improve UV stability during storage and use. In some cosmetic formulations where permitted, Octabenzone can serve as a UV filter. In electronics and optical materials applications, it may be considered for protective encapsulants or coatings to mitigate UV-related damage.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 804.25
    methanol 805.68
    isopropanol 465.96
    water 0.09
    ethyl acetate 1384.91
    n-propanol 817.91
    acetone 2855.3
    n-butanol 504.09
    acetonitrile 920.94
    DMF 2342.26
    toluene 566.09
    isobutanol 464.15
    1,4-dioxane 922.05
    methyl acetate 1220.23
    THF 2226.9
    2-butanone 1604.71
    n-pentanol 239.74
    sec-butanol 433.59
    n-hexane 6.22
    ethylene glycol 56.88
    NMP 1750.19
    cyclohexane 35.4
    DMSO 3517.17
    n-butyl acetate 467.21
    n-octanol 64.14
    chloroform 2609.39
    n-propyl acetate 530.16
    acetic acid 697.1
    dichloromethane 3606.31
    cyclohexanone 2060.47
    propylene glycol 169.74
    isopropyl acetate 625.65
    DMAc 1834.95
    2-ethoxyethanol 451.96
    isopentanol 337.34
    n-heptane 4.45
    ethyl formate 513.06
    1,2-dichloroethane 3166.14
    n-hexanol 160.02
    2-methoxyethanol 985.9
    isobutyl acetate 290.71
    tetrachloromethane 186.82
    n-pentyl acetate 290.77
    transcutol 1668.3
    n-heptanol 81.91
    ethylbenzene 138.55
    MIBK 486.55
    2-propoxyethanol 439.27
    tert-butanol 431.72
    MTBE 473.15
    2-butoxyethanol 250.35
    propionic acid 644.37
    o-xylene 211.7
    formic acid 135.6
    diethyl ether 660.4
    m-xylene 208.21
    p-xylene 180.72
    chlorobenzene 939.9
    dimethyl carbonate 504.87
    n-octane 3.08
    formamide 447.89
    cyclopentanone 2704.99
    2-pentanone 1206.14
    anisole 392.74
    cyclopentyl methyl ether 853.79
    gamma-butyrolactone 2397.05
    1-methoxy-2-propanol 714.21
    pyridine 1783.22
    3-pentanone 864.76
    furfural 1307.21
    n-dodecane 4.14
    diethylene glycol 264.04
    diisopropyl ether 101.23
    tert-amyl alcohol 333.33
    acetylacetone 1364.54
    n-hexadecane 5.07
    acetophenone 439.06
    methyl propionate 1204.39
    isopentyl acetate 389.54
    trichloroethylene 4356.03
    n-nonanol 66.2
    cyclohexanol 527.84
    benzyl alcohol 346.71
    2-ethylhexanol 96.81
    isooctanol 77.42
    dipropyl ether 152.61
    1,2-dichlorobenzene 635.82
    ethyl lactate 204.7
    propylene carbonate 1002.64
    n-methylformamide 1030.49
    2-pentanol 256.95
    n-pentane 6.28
    1-propoxy-2-propanol 292.27
    1-methoxy-2-propyl acetate 487.52
    2-(2-methoxypropoxy) propanol 224.13
    mesitylene 95.76
    ε-caprolactone 1323.31
    p-cymene 62.15
    epichlorohydrin 3205.0
    1,1,1-trichloroethane 1618.57
    2-aminoethanol 229.9
    morpholine-4-carbaldehyde 1075.42
    sulfolane 2824.85
    2,2,4-trimethylpentane 10.35
    2-methyltetrahydrofuran 1301.55
    n-hexyl acetate 317.02
    isooctane 6.78
    2-(2-butoxyethoxy)ethanol 346.53
    sec-butyl acetate 316.56
    tert-butyl acetate 554.75
    decalin 17.11
    glycerin 194.82
    diglyme 834.7
    acrylic acid 494.86
    isopropyl myristate 102.04
    n-butyric acid 945.4
    acetyl acetate 645.55
    di(2-ethylhexyl) phthalate 102.03
    ethyl propionate 443.34
    nitromethane 2141.57
    1,2-diethoxyethane 483.18
    benzonitrile 515.28
    trioctyl phosphate 70.63
    1-bromopropane 917.04
    gamma-valerolactone 2339.12
    n-decanol 45.77
    triethyl phosphate 137.7
    4-methyl-2-pentanol 112.85
    propionitrile 707.25
    vinylene carbonate 795.12
    1,1,2-trichlorotrifluoroethane 1329.51
    DMS 410.06
    cumene 70.78
    2-octanol 56.53
    2-hexanone 496.03
    octyl acetate 132.86
    limonene 103.45
    1,2-dimethoxyethane 735.54
    ethyl orthosilicate 120.0
    tributyl phosphate 104.4
    diacetone alcohol 548.57
    N,N-dimethylaniline 180.52
    acrylonitrile 967.94
    aniline 720.99
    1,3-propanediol 380.73
    bromobenzene 955.65
    dibromomethane 1984.21
    1,1,2,2-tetrachloroethane 3112.94
    2-methyl-cyclohexyl acetate 213.26
    tetrabutyl urea 138.47
    diisobutyl methanol 60.97
    2-phenylethanol 244.48
    styrene 241.74
    dioctyl adipate 177.92
    dimethyl sulfate 792.25
    ethyl butyrate 307.49
    methyl lactate 403.95
    butyl lactate 232.97
    diethyl carbonate 210.83
    propanediol butyl ether 210.66
    triethyl orthoformate 182.77
    p-tert-butyltoluene 57.02
    methyl 4-tert-butylbenzoate 263.43
    morpholine 1440.34
    tert-butylamine 189.58
    n-dodecanol 34.46
    dimethoxymethane 1264.56
    ethylene carbonate 707.59
    cyrene 259.86
    2-ethoxyethyl acetate 494.89
    2-ethylhexyl acetate 282.99
    1,2,4-trichlorobenzene 817.15
    4-methylpyridine 1456.02
    dibutyl ether 140.78
    2,6-dimethyl-4-heptanol 60.97
    DEF 1142.26
    dimethyl isosorbide 470.62
    tetrachloroethylene 1492.52
    eugenol 239.8
    triacetin 363.47
    span 80 186.36
    1,4-butanediol 106.93
    1,1-dichloroethane 2298.79
    2-methyl-1-pentanol 215.59
    methyl formate 690.17
    2-methyl-1-butanol 375.21
    n-decane 6.83
    butyronitrile 575.86
    3,7-dimethyl-1-octanol 84.16
    1-chlorooctane 65.05
    1-chlorotetradecane 22.5
    n-nonane 5.43
    undecane 5.06
    tert-butylcyclohexane 13.14
    cyclooctane 6.29
    cyclopentanol 649.83
    tetrahydropyran 1417.92
    tert-amyl methyl ether 286.13
    2,5,8-trioxanonane 431.34
    1-hexene 71.6
    2-isopropoxyethanol 288.58
    2,2,2-trifluoroethanol 240.11
    methyl butyrate 668.55

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction