Tetralin hydroperoxide

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  • Identifiers

    CAS number
    771-29-9

    Molecular formula
    C10H12O2

    SMILES
    C1CC(C2=CC=CC=C2C1)OO

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Floral 63.15%
    Rose 45.13%
    Animal 40.14%
    Sweet 36.53%
    Fruity 35.62%
    Honey 30.15%
    Balsamic 29.87%
    Phenolic 29.59%
    Earthy 29.02%
    Aromatic 27.24%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point est.
    119.33 ˚C

  • Synonyms

    • Tetralin hydroperoxide
    • 771-29-9
    • 1,2,3,4-Tetrahydro-1-hydroperoxynaphthalene
    • 26447-24-5
    • Tetralinhydroperoxid
    • 1,2,3,4-Tetrahydro-1-naphthyl hydroperoxide
    • Tetralinehydroperoxyde
    • Tetralinhydroperoxid [German]
    • Tetralinehydroperoxyde [Dutch]
    • 1-hydroperoxy-1,2,3,4-tetrahydronaphthalene
    • Hydroperoxyde de tetraline
    • Idroperossido di tetralina
    • Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthalenyl
    • Hydroperoxyde de tetraline [French]
    • EINECS 212-230-0
    • Idroperossido di tetralina [Italian]
    • 1,2,3,4-tetrahydro-1-naphthalenyl hydroperoxide
    • CCRIS 8475
    • AI3-12032
    • Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthyl-
    • TETRALIN HYDROPEROXIDE, (TECHNICALLY PURE)
    • TETRALIN HYDROPEROXIDE, [TECHNICALLY PURE]
    • tetralin peroxide
    • Tetralin 1-hydroperoxide
    • Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthyl
    • 1-HYDROPEROXYTETRALIN
    • TETRALYL HYDROPEROXIDE
    • SCHEMBL298463
    • 1-TETRALYL HYDROPEROXIDE
    • SCHEMBL11577284
    • DTXSID90903935
    • YWBMNCRJFZGXJY-UHFFFAOYSA-N
    • ALPHA-TETRALIN HYDROPEROXIDE
    • ALPHA-TETRALYL HYDROPEROXIDE
    • AKOS006276229
    • NS00042138
    • 1-hydroperoxy-1,2,3,4-tetrahydro-naphthalene
    • 1,2,3,4-TETRAHYDRONAPHTHALENE 1-HYDROPEROXIDE
    • NAPHTHALENE, 1,2,3,4-TETRAHYDRO-, 1-HYDROPEROXIDE
    • 212-230-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 226.76
    methanol 218.18
    isopropanol 154.13
    water 1.3
    ethyl acetate 420.09
    n-propanol 178.73
    acetone 541.87
    n-butanol 152.43
    acetonitrile 518.53
    DMF 1008.01
    toluene 234.65
    isobutanol 121.4
    1,4-dioxane 1175.33
    methyl acetate 441.07
    THF 723.86
    2-butanone 415.09
    n-pentanol 114.17
    sec-butanol 110.41
    n-hexane 14.1
    ethylene glycol 96.17
    NMP 574.47
    cyclohexane 39.61
    DMSO 1012.94
    n-butyl acetate 301.09
    n-octanol 109.16
    chloroform 1449.53
    n-propyl acetate 269.21
    acetic acid 232.01
    dichloromethane 2060.45
    cyclohexanone 718.93
    propylene glycol 62.18
    isopropyl acetate 204.46
    DMAc 454.72
    2-ethoxyethanol 278.95
    isopentanol 123.45
    n-heptane 25.9
    ethyl formate 428.68
    1,2-dichloroethane 1336.35
    n-hexanol 163.77
    2-methoxyethanol 426.41
    isobutyl acetate 148.29
    tetrachloromethane 181.18
    n-pentyl acetate 169.59
    transcutol 977.85
    n-heptanol 94.5
    ethylbenzene 134.83
    MIBK 190.61
    2-propoxyethanol 328.75
    tert-butanol 160.77
    MTBE 147.77
    2-butoxyethanol 193.29
    propionic acid 243.8
    o-xylene 164.34
    formic acid 87.06
    diethyl ether 250.01
    m-xylene 176.75
    p-xylene 160.96
    chlorobenzene 444.3
    dimethyl carbonate 229.01
    n-octane 17.14
    formamide 249.43
    cyclopentanone 807.2
    2-pentanone 342.38
    anisole 301.94
    cyclopentyl methyl ether 285.31
    gamma-butyrolactone 1006.1
    1-methoxy-2-propanol 276.12
    pyridine 676.82
    3-pentanone 285.36
    furfural 846.42
    n-dodecane 16.65
    diethylene glycol 319.67
    diisopropyl ether 72.35
    tert-amyl alcohol 111.07
    acetylacetone 479.25
    n-hexadecane 19.54
    acetophenone 279.88
    methyl propionate 342.48
    isopentyl acetate 214.56
    trichloroethylene 1929.65
    n-nonanol 96.64
    cyclohexanol 162.84
    benzyl alcohol 205.6
    2-ethylhexanol 108.25
    isooctanol 81.39
    dipropyl ether 163.24
    1,2-dichlorobenzene 411.22
    ethyl lactate 142.59
    propylene carbonate 528.45
    n-methylformamide 554.65
    2-pentanol 87.93
    n-pentane 15.88
    1-propoxy-2-propanol 226.22
    1-methoxy-2-propyl acetate 276.28
    2-(2-methoxypropoxy) propanol 211.8
    mesitylene 118.87
    ε-caprolactone 540.95
    p-cymene 93.05
    epichlorohydrin 1191.56
    1,1,1-trichloroethane 685.13
    2-aminoethanol 121.64
    morpholine-4-carbaldehyde 797.44
    sulfolane 923.43
    2,2,4-trimethylpentane 11.63
    2-methyltetrahydrofuran 421.32
    n-hexyl acetate 228.86
    isooctane 13.16
    2-(2-butoxyethoxy)ethanol 320.56
    sec-butyl acetate 152.99
    tert-butyl acetate 208.07
    decalin 28.0
    glycerin 119.56
    diglyme 695.72
    acrylic acid 240.19
    isopropyl myristate 109.31
    n-butyric acid 280.23
    acetyl acetate 272.98
    di(2-ethylhexyl) phthalate 94.1
    ethyl propionate 242.38
    nitromethane 800.52
    1,2-diethoxyethane 380.15
    benzonitrile 389.57
    trioctyl phosphate 71.29
    1-bromopropane 397.44
    gamma-valerolactone 996.11
    n-decanol 79.45
    triethyl phosphate 117.61
    4-methyl-2-pentanol 66.23
    propionitrile 378.0
    vinylene carbonate 580.11
    1,1,2-trichlorotrifluoroethane 466.01
    DMS 279.53
    cumene 92.85
    2-octanol 68.17
    2-hexanone 231.27
    octyl acetate 133.53
    limonene 120.27
    1,2-dimethoxyethane 568.22
    ethyl orthosilicate 102.03
    tributyl phosphate 94.44
    diacetone alcohol 229.36
    N,N-dimethylaniline 170.73
    acrylonitrile 583.87
    aniline 235.62
    1,3-propanediol 192.67
    bromobenzene 488.63
    dibromomethane 1098.09
    1,1,2,2-tetrachloroethane 1095.53
    2-methyl-cyclohexyl acetate 154.27
    tetrabutyl urea 132.47
    diisobutyl methanol 76.72
    2-phenylethanol 199.53
    styrene 169.35
    dioctyl adipate 149.01
    dimethyl sulfate 363.48
    ethyl butyrate 240.51
    methyl lactate 173.8
    butyl lactate 131.62
    diethyl carbonate 180.14
    propanediol butyl ether 174.5
    triethyl orthoformate 142.07
    p-tert-butyltoluene 82.82
    methyl 4-tert-butylbenzoate 228.93
    morpholine 815.18
    tert-butylamine 92.07
    n-dodecanol 65.78
    dimethoxymethane 526.56
    ethylene carbonate 481.37
    cyrene 203.47
    2-ethoxyethyl acetate 277.14
    2-ethylhexyl acetate 171.06
    1,2,4-trichlorobenzene 431.28
    4-methylpyridine 517.31
    dibutyl ether 157.36
    2,6-dimethyl-4-heptanol 76.72
    DEF 399.38
    dimethyl isosorbide 392.7
    tetrachloroethylene 679.89
    eugenol 213.8
    triacetin 252.88
    span 80 166.37
    1,4-butanediol 94.59
    1,1-dichloroethane 811.62
    2-methyl-1-pentanol 96.15
    methyl formate 531.57
    2-methyl-1-butanol 102.24
    n-decane 25.03
    butyronitrile 315.24
    3,7-dimethyl-1-octanol 102.66
    1-chlorooctane 103.98
    1-chlorotetradecane 47.83
    n-nonane 24.39
    undecane 20.34
    tert-butylcyclohexane 24.46
    cyclooctane 16.68
    cyclopentanol 193.48
    tetrahydropyran 554.93
    tert-amyl methyl ether 112.91
    2,5,8-trioxanonane 435.21
    1-hexene 65.85
    2-isopropoxyethanol 194.43
    2,2,2-trifluoroethanol 142.62
    methyl butyrate 332.03

    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