Irene

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  • Identifiers

    CAS number
    1681-22-7

    Molecular formula
    C14H20

    SMILES
    CC1CCC2=C(C1(C)C)C=CC(=C2)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 70.21%
    Spicy 48.49%
    Sweet 44.07%
    Dry 41.36%
    Herbal 37.73%
    Amber 36.02%
    Musk 35.97%
    Fruity 34.97%
    Camphoreous 31.82%
    Leathery 31.06%

     

    Flavor
    Woody 42.2%
    Camphor 38.9%
    Dry 26.34%
    Wood 25.44%
    Pine 23.97%
    Spice 23.66%
    Plastic 21.44%
    Flat 20.68%
    Cedar 20.62%
    Medicinal 20.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.82 (weak base)

    Molecular weight
    188.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    259°C

    Flash point

    • 102.29 ˚C est.

  • Synonyms

    • 1,2,3,4-Tetrahydro-1,1,2,6-tetramethylnaphthalene
    • 3,4,4,7-tetramethyl-2,3-dihydro-1H-naphthalene
    • 1681-22-7
    • Irene
    • 1,2,3,4-tetrahydro-1,1,2,6-tetramethyl-naphthalene
    • 1681-22-7

  • Applications

    Irene (CAS 1681-22-7) may be used as an intermediate or solvent in industrial processing; it is commonly evaluated for fragrance applications as an odorant or fragrance ingredient; in cosmetics and personal care it can serve as a solvent or processing aid; in household cleaning products it can be a solvent or additive; in coatings and inks it may function as a solvent or formulation additive; in polymers/plastics it can be used as a processing aid or formulation additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 267.86
    methanol 150.82
    isopropanol 203.12
    water 0.09
    ethyl acetate 751.79
    n-propanol 291.84
    acetone 539.86
    n-butanol 323.82
    acetonitrile 430.54
    DMF 457.59
    toluene 925.07
    isobutanol 194.09
    1,4-dioxane 1619.65
    methyl acetate 544.45
    THF 2079.84
    2-butanone 616.54
    n-pentanol 168.37
    sec-butanol 169.64
    n-hexane 292.07
    ethylene glycol 10.81
    NMP 352.8
    cyclohexane 480.09
    DMSO 164.48
    n-butyl acetate 1403.96
    n-octanol 188.83
    chloroform 1241.24
    n-propyl acetate 410.55
    acetic acid 81.79
    dichloromethane 1310.34
    cyclohexanone 906.44
    propylene glycol 22.14
    isopropyl acetate 485.49
    DMAc 373.24
    2-ethoxyethanol 168.97
    isopentanol 269.23
    n-heptane 362.29
    ethyl formate 311.08
    1,2-dichloroethane 974.42
    n-hexanol 624.51
    2-methoxyethanol 249.33
    isobutyl acetate 344.91
    tetrachloromethane 323.04
    n-pentyl acetate 411.46
    transcutol 885.74
    n-heptanol 210.6
    ethylbenzene 371.96
    MIBK 405.91
    2-propoxyethanol 611.6
    tert-butanol 278.07
    MTBE 819.84
    2-butoxyethanol 252.73
    propionic acid 113.86
    o-xylene 403.07
    formic acid 14.06
    diethyl ether 1195.04
    m-xylene 528.45
    p-xylene 462.05
    chlorobenzene 690.52
    dimethyl carbonate 184.66
    n-octane 106.28
    formamide 40.4
    cyclopentanone 934.52
    2-pentanone 601.42
    anisole 521.38
    cyclopentyl methyl ether 883.8
    gamma-butyrolactone 763.53
    1-methoxy-2-propanol 221.35
    pyridine 1026.06
    3-pentanone 561.8
    furfural 431.18
    n-dodecane 59.61
    diethylene glycol 154.7
    diisopropyl ether 407.0
    tert-amyl alcohol 211.15
    acetylacetone 493.49
    n-hexadecane 72.05
    acetophenone 350.47
    methyl propionate 466.21
    isopentyl acetate 986.52
    trichloroethylene 1169.61
    n-nonanol 182.78
    cyclohexanol 287.45
    benzyl alcohol 200.63
    2-ethylhexanol 466.25
    isooctanol 179.78
    dipropyl ether 1177.82
    1,2-dichlorobenzene 508.97
    ethyl lactate 85.68
    propylene carbonate 389.07
    n-methylformamide 168.5
    2-pentanol 202.07
    n-pentane 222.56
    1-propoxy-2-propanol 463.21
    1-methoxy-2-propyl acetate 654.73
    2-(2-methoxypropoxy) propanol 250.59
    mesitylene 339.23
    ε-caprolactone 624.79
    p-cymene 351.52
    epichlorohydrin 947.6
    1,1,1-trichloroethane 776.5
    2-aminoethanol 40.0
    morpholine-4-carbaldehyde 543.13
    sulfolane 428.67
    2,2,4-trimethylpentane 88.24
    2-methyltetrahydrofuran 1247.69
    n-hexyl acetate 506.1
    isooctane 95.83
    2-(2-butoxyethoxy)ethanol 333.33
    sec-butyl acetate 315.49
    tert-butyl acetate 507.76
    decalin 165.7
    glycerin 26.3
    diglyme 754.46
    acrylic acid 67.51
    isopropyl myristate 243.82
    n-butyric acid 285.69
    acetyl acetate 374.12
    di(2-ethylhexyl) phthalate 165.83
    ethyl propionate 392.06
    nitromethane 231.51
    1,2-diethoxyethane 1030.8
    benzonitrile 389.75
    trioctyl phosphate 125.14
    1-bromopropane 876.11
    gamma-valerolactone 844.3
    n-decanol 140.42
    triethyl phosphate 210.02
    4-methyl-2-pentanol 160.15
    propionitrile 539.44
    vinylene carbonate 378.61
    1,1,2-trichlorotrifluoroethane 193.99
    DMS 352.65
    cumene 251.1
    2-octanol 142.22
    2-hexanone 421.24
    octyl acetate 271.5
    limonene 479.46
    1,2-dimethoxyethane 688.32
    ethyl orthosilicate 229.83
    tributyl phosphate 161.8
    diacetone alcohol 267.35
    N,N-dimethylaniline 335.36
    acrylonitrile 409.2
    aniline 422.23
    1,3-propanediol 98.9
    bromobenzene 902.02
    dibromomethane 993.18
    1,1,2,2-tetrachloroethane 791.68
    2-methyl-cyclohexyl acetate 411.22
    tetrabutyl urea 208.17
    diisobutyl methanol 247.54
    2-phenylethanol 399.04
    styrene 429.29
    dioctyl adipate 246.07
    dimethyl sulfate 163.44
    ethyl butyrate 725.92
    methyl lactate 75.77
    butyl lactate 162.84
    diethyl carbonate 380.18
    propanediol butyl ether 121.97
    triethyl orthoformate 441.64
    p-tert-butyltoluene 361.96
    methyl 4-tert-butylbenzoate 310.05
    morpholine 1310.4
    tert-butylamine 270.79
    n-dodecanol 116.14
    dimethoxymethane 640.02
    ethylene carbonate 363.95
    cyrene 176.27
    2-ethoxyethyl acetate 493.35
    2-ethylhexyl acetate 885.77
    1,2,4-trichlorobenzene 482.62
    4-methylpyridine 987.84
    dibutyl ether 600.38
    2,6-dimethyl-4-heptanol 247.54
    DEF 543.41
    dimethyl isosorbide 576.32
    tetrachloroethylene 538.29
    eugenol 230.45
    triacetin 302.28
    span 80 217.32
    1,4-butanediol 31.18
    1,1-dichloroethane 809.6
    2-methyl-1-pentanol 179.23
    methyl formate 139.15
    2-methyl-1-butanol 216.21
    n-decane 110.13
    butyronitrile 629.72
    3,7-dimethyl-1-octanol 214.67
    1-chlorooctane 284.72
    1-chlorotetradecane 119.48
    n-nonane 113.74
    undecane 78.01
    tert-butylcyclohexane 152.4
    cyclooctane 203.36
    cyclopentanol 245.42
    tetrahydropyran 1871.11
    tert-amyl methyl ether 451.57
    2,5,8-trioxanonane 450.7
    1-hexene 569.61
    2-isopropoxyethanol 161.26
    2,2,2-trifluoroethanol 30.73
    methyl butyrate 425.43

    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