o-Mentha-1(7),5,8-triene

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  • Identifiers

    CAS number
    76786-83-9

    Molecular formula
    C10H14

    SMILES
    CC(=C)C1CCC=CC1=C

  • Odor profile

    Herbal 57.7%
    Woody 54.9%
    Citrus 54.69%
    Spicy 49.92%
    Mint 47.4%
    Terpenic 47.23%
    Sweet 45.43%
    Fruity 45.21%
    Fresh 43.42%
    Green 39.35%

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  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    175°C

    Flash point est.
    46.59 ˚C

  • Synonyms

    • o-Mentha-1(7),5,8-triene
    • 76786-83-9
    • DTXSID30824352
    • HZHNTXKWFDHZIG-UHFFFAOYSA-N
    • 3-Methylidene-4-(prop-1-en-2-yl)cyclohex-1-ene

  • Applications

    o-Mentha-1(7),5,8-triene (CAS 76786-83-9) is an unsaturated cyclic monoterpene of interest in flavor–fragrance applications and organic synthesis; owing to its characteristic terpene odor (herbal, resinous, lightly citrus), it is considered as a nuance-modifying ingredient in perfumery and as a fragrance component for personal care products, household cleaners, and air-care; in food and beverage R&D it is sometimes explored at trace levels as a flavor or as a sensory reference, while in analytical work it serves as a reference standard for GC–MS/GC–FID and as a probe for terpene oxidation pathways; synthetically, its p-menthane scaffold is a convenient intermediate for hydrogenation, epoxidation, and other functionalizations to access monoterpene derivatives (e.g., alcohols, epoxides, peroxides, halides) and next-generation aroma chemicals; it is also investigated for typical terpene bioactivities (antimicrobial, insect-repellent, antioxidant) and as a model compound in atmospheric studies of VOC emissions from essential oils and scented materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1223.62
    methanol 855.82
    isopropanol 1140.48
    water 0.23
    ethyl acetate 1614.12
    n-propanol 1130.83
    acetone 1491.9
    n-butanol 1297.46
    acetonitrile 1220.92
    DMF 904.52
    toluene 1398.07
    isobutanol 895.82
    1,4-dioxane 2785.79
    methyl acetate 1205.31
    THF 4349.12
    2-butanone 1447.59
    n-pentanol 895.61
    sec-butanol 1090.75
    n-hexane 1012.29
    ethylene glycol 73.42
    NMP 1060.03
    cyclohexane 1104.72
    DMSO 946.68
    n-butyl acetate 2264.02
    n-octanol 616.2
    chloroform 2341.02
    n-propyl acetate 902.94
    acetic acid 440.36
    dichloromethane 2041.4
    cyclohexanone 1958.49
    propylene glycol 146.09
    isopropyl acetate 1064.65
    DMAc 652.35
    2-ethoxyethanol 659.55
    isopentanol 1143.0
    n-heptane 804.34
    ethyl formate 619.93
    1,2-dichloroethane 1473.22
    n-hexanol 2109.7
    2-methoxyethanol 902.29
    isobutyl acetate 651.05
    tetrachloromethane 677.12
    n-pentyl acetate 742.66
    transcutol 2255.46
    n-heptanol 630.35
    ethylbenzene 496.85
    MIBK 1017.0
    2-propoxyethanol 1722.38
    tert-butanol 1525.74
    MTBE 2141.51
    2-butoxyethanol 700.02
    propionic acid 486.32
    o-xylene 564.45
    formic acid 75.51
    diethyl ether 3103.02
    m-xylene 870.59
    p-xylene 512.11
    chlorobenzene 1007.02
    dimethyl carbonate 323.59
    n-octane 220.52
    formamide 117.92
    cyclopentanone 1911.31
    2-pentanone 1526.9
    anisole 758.72
    cyclopentyl methyl ether 2361.06
    gamma-butyrolactone 1566.65
    1-methoxy-2-propanol 924.92
    pyridine 1521.94
    3-pentanone 1120.64
    furfural 926.45
    n-dodecane 122.06
    diethylene glycol 535.32
    diisopropyl ether 982.48
    tert-amyl alcohol 1119.32
    acetylacetone 1038.98
    n-hexadecane 140.4
    acetophenone 474.72
    methyl propionate 969.02
    isopentyl acetate 1581.94
    trichloroethylene 1839.89
    n-nonanol 511.04
    cyclohexanol 1233.69
    benzyl alcohol 426.78
    2-ethylhexanol 1244.79
    isooctanol 522.22
    dipropyl ether 2069.25
    1,2-dichlorobenzene 689.45
    ethyl lactate 236.16
    propylene carbonate 834.06
    n-methylformamide 404.09
    2-pentanol 1127.66
    n-pentane 916.8
    1-propoxy-2-propanol 1430.75
    1-methoxy-2-propyl acetate 1166.51
    2-(2-methoxypropoxy) propanol 549.69
    mesitylene 524.95
    ε-caprolactone 1391.8
    p-cymene 388.03
    epichlorohydrin 1977.82
    1,1,1-trichloroethane 1687.71
    2-aminoethanol 224.36
    morpholine-4-carbaldehyde 1118.68
    sulfolane 1425.76
    2,2,4-trimethylpentane 280.1
    2-methyltetrahydrofuran 3452.25
    n-hexyl acetate 995.12
    isooctane 301.86
    2-(2-butoxyethoxy)ethanol 837.24
    sec-butyl acetate 626.67
    tert-butyl acetate 1149.86
    decalin 330.05
    glycerin 160.27
    diglyme 1415.22
    acrylic acid 279.69
    isopropyl myristate 424.28
    n-butyric acid 1019.6
    acetyl acetate 655.33
    di(2-ethylhexyl) phthalate 258.82
    ethyl propionate 691.58
    nitromethane 738.85
    1,2-diethoxyethane 1609.14
    benzonitrile 663.69
    trioctyl phosphate 234.57
    1-bromopropane 1874.39
    gamma-valerolactone 1634.23
    n-decanol 389.38
    triethyl phosphate 276.18
    4-methyl-2-pentanol 634.68
    propionitrile 1175.13
    vinylene carbonate 636.83
    1,1,2-trichlorotrifluoroethane 626.63
    DMS 472.79
    cumene 318.68
    2-octanol 460.02
    2-hexanone 1089.83
    octyl acetate 505.39
    limonene 742.54
    1,2-dimethoxyethane 1387.03
    ethyl orthosilicate 313.92
    tributyl phosphate 288.7
    diacetone alcohol 868.07
    N,N-dimethylaniline 432.06
    acrylonitrile 836.57
    aniline 901.33
    1,3-propanediol 412.35
    bromobenzene 1139.93
    dibromomethane 1739.17
    1,1,2,2-tetrachloroethane 1445.35
    2-methyl-cyclohexyl acetate 634.93
    tetrabutyl urea 333.12
    diisobutyl methanol 577.86
    2-phenylethanol 708.34
    styrene 617.1
    dioctyl adipate 401.66
    dimethyl sulfate 357.36
    ethyl butyrate 1061.44
    methyl lactate 266.9
    butyl lactate 373.81
    diethyl carbonate 485.31
    propanediol butyl ether 457.29
    triethyl orthoformate 616.5
    p-tert-butyltoluene 406.6
    methyl 4-tert-butylbenzoate 447.88
    morpholine 2701.63
    tert-butylamine 1253.33
    n-dodecanol 309.25
    dimethoxymethane 1197.2
    ethylene carbonate 634.86
    cyrene 373.26
    2-ethoxyethyl acetate 808.5
    2-ethylhexyl acetate 1286.45
    1,2,4-trichlorobenzene 720.43
    4-methylpyridine 1625.89
    dibutyl ether 1157.06
    2,6-dimethyl-4-heptanol 577.86
    DEF 1142.58
    dimethyl isosorbide 913.53
    tetrachloroethylene 920.63
    eugenol 391.72
    triacetin 496.66
    span 80 517.86
    1,4-butanediol 164.55
    1,1-dichloroethane 1866.2
    2-methyl-1-pentanol 793.07
    methyl formate 348.33
    2-methyl-1-butanol 1062.78
    n-decane 221.39
    butyronitrile 1505.2
    3,7-dimethyl-1-octanol 649.53
    1-chlorooctane 618.64
    1-chlorotetradecane 238.41
    n-nonane 257.6
    undecane 158.05
    tert-butylcyclohexane 350.16
    cyclooctane 454.43
    cyclopentanol 1062.91
    tetrahydropyran 3888.48
    tert-amyl methyl ether 1368.83
    2,5,8-trioxanonane 868.24
    1-hexene 1761.4
    2-isopropoxyethanol 603.06
    2,2,2-trifluoroethanol 113.06
    methyl butyrate 857.68

    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

Botanical

Name CAS Botanical Proportion
Orange leaf, sweet (North Africa) 4 Citrus sinensis (L.) Osbeck, cultivar Washington navel, fam. Rutaceae 0.2%