Menthadienyl formate

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  • Identifiers

    CAS number
    68683-20-5

    Molecular formula
    C12H18O2

    SMILES
    CC(C)C1=CCC(=CC1)CCOC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 69.13%
    Fruity 67.93%
    Sweet 62.87%
    Herbal 62.47%
    Woody 51.67%
    Fresh 42.03%
    Spicy 40.69%
    Green 36.07%
    Rose 34.17%
    Oily 31.03%

     

    Flavor
    Herbal 49.14%
    Green 48.91%
    Floral 41.77%
    Spicy 39.11%
    Bitter 35.51%
    Fruity 35.31%
    Oily 34.78%
    Fresh 34.37%
    Tropical 34.24%
    Spice 29.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.54 (weak base)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 118.1 ˚C est.

  • Synonyms

    • Isobergamate
    • Menthadienyl formate
    • Menthadienyl formiate
    • Menthadiene-7-methyl formate
    • 4-(Isopropyl)cyclohexadiene-1-ethyl formate
    • 2-(4-Isopropylcyclohexadienyl)ethyl formate
    • EINECS 272-066-0
    • 68683-20-5
    • Formic acid, (menthadien-7-methanyl) ester
    • 4-(1-Methylethyl)cyclohexadiene-1-ethyl formate
    • 4-(1-Methylethyl)cyclohexadiene-1-ethanol formate
    • Cyclohexadieneethanol, 4-(1-methylethyl)-, formate
    • Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate
    • 1,?-Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate
    • 1,?-Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, 1-formate
    • 1891096-88-0
    • SCHEMBL1773464
    • VQKSHQQZPYHYOS-UHFFFAOYSA-N
    • DTXSID101019291
    • NS00012668
    • 2-(4-Isopropylcyclohexa-1,4-dien-1-yl)ethyl formate
    • 1,a4-aCyclohexadiene-a1-aethanol, 4-a(1-amethylethyl)a-a, 1-aformate
    • 272-066-0

  • Applications

    Menthadienyl formate, the formate ester of menthadienyl, is primarily used in fragrance applications as an aroma ingredient and fixative in perfumery. It is also considered a fragrance component in cosmetics and personal care products to impart or extend scent. In household products, it can serve as a fragrance additive for cleaners and fabric care products. In industrial manufacturing, it is used as an intermediate for the synthesis of fragrance-related compounds and derivatives. Its use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 245.38
    methanol 217.61
    isopropanol 157.75
    water 0.07
    ethyl acetate 431.67
    n-propanol 198.71
    acetone 291.19
    n-butanol 165.0
    acetonitrile 235.68
    DMF 227.42
    toluene 252.26
    isobutanol 95.74
    1,4-dioxane 678.78
    methyl acetate 285.78
    THF 591.79
    2-butanone 339.97
    n-pentanol 101.15
    sec-butanol 116.83
    n-hexane 6.24
    ethylene glycol 20.55
    NMP 168.01
    cyclohexane 20.31
    DMSO 349.96
    n-butyl acetate 200.78
    n-octanol 22.16
    chloroform 919.06
    n-propyl acetate 178.09
    acetic acid 142.49
    dichloromethane 824.92
    cyclohexanone 376.81
    propylene glycol 50.12
    isopropyl acetate 209.46
    DMAc 242.61
    2-ethoxyethanol 209.51
    isopentanol 119.83
    n-heptane 4.09
    ethyl formate 129.21
    1,2-dichloroethane 562.87
    n-hexanol 104.01
    2-methoxyethanol 346.32
    isobutyl acetate 103.02
    tetrachloromethane 69.67
    n-pentyl acetate 74.28
    transcutol 1174.53
    n-heptanol 30.66
    ethylbenzene 76.55
    MIBK 141.26
    2-propoxyethanol 227.01
    tert-butanol 192.96
    MTBE 196.98
    2-butoxyethanol 94.29
    propionic acid 115.52
    o-xylene 99.61
    formic acid 46.43
    diethyl ether 339.02
    m-xylene 126.96
    p-xylene 91.28
    chlorobenzene 218.99
    dimethyl carbonate 76.33
    n-octane 1.62
    formamide 105.44
    cyclopentanone 377.52
    2-pentanone 263.73
    anisole 196.2
    cyclopentyl methyl ether 245.67
    gamma-butyrolactone 346.56
    1-methoxy-2-propanol 237.15
    pyridine 539.11
    3-pentanone 205.68
    furfural 334.21
    n-dodecane 1.48
    diethylene glycol 143.39
    diisopropyl ether 59.07
    tert-amyl alcohol 117.95
    acetylacetone 282.12
    n-hexadecane 1.82
    acetophenone 158.06
    methyl propionate 231.23
    isopentyl acetate 177.3
    trichloroethylene 1007.06
    n-nonanol 24.19
    cyclohexanol 131.21
    benzyl alcohol 140.16
    2-ethylhexanol 55.72
    isooctanol 28.17
    dipropyl ether 87.72
    1,2-dichlorobenzene 187.13
    ethyl lactate 65.35
    propylene carbonate 172.46
    n-methylformamide 133.01
    2-pentanol 93.57
    n-pentane 6.64
    1-propoxy-2-propanol 157.27
    1-methoxy-2-propyl acetate 251.9
    2-(2-methoxypropoxy) propanol 146.71
    mesitylene 67.05
    ε-caprolactone 293.22
    p-cymene 39.27
    epichlorohydrin 642.89
    1,1,1-trichloroethane 384.0
    2-aminoethanol 69.8
    morpholine-4-carbaldehyde 319.87
    sulfolane 331.51
    2,2,4-trimethylpentane 5.48
    2-methyltetrahydrofuran 420.26
    n-hexyl acetate 97.49
    isooctane 5.11
    2-(2-butoxyethoxy)ethanol 202.75
    sec-butyl acetate 130.45
    tert-butyl acetate 210.81
    decalin 10.76
    glycerin 63.64
    diglyme 433.35
    acrylic acid 89.14
    isopropyl myristate 39.37
    n-butyric acid 208.31
    acetyl acetate 171.99
    di(2-ethylhexyl) phthalate 46.34
    ethyl propionate 158.56
    nitromethane 298.06
    1,2-diethoxyethane 305.19
    benzonitrile 171.07
    trioctyl phosphate 25.41
    1-bromopropane 258.54
    gamma-valerolactone 463.0
    n-decanol 18.43
    triethyl phosphate 63.81
    4-methyl-2-pentanol 50.22
    propionitrile 194.43
    vinylene carbonate 159.56
    1,1,2-trichlorotrifluoroethane 290.95
    DMS 134.37
    cumene 45.08
    2-octanol 17.21
    2-hexanone 160.26
    octyl acetate 45.23
    limonene 52.25
    1,2-dimethoxyethane 357.57
    ethyl orthosilicate 61.47
    tributyl phosphate 40.58
    diacetone alcohol 191.62
    N,N-dimethylaniline 105.14
    acrylonitrile 217.55
    aniline 236.68
    1,3-propanediol 130.05
    bromobenzene 241.09
    dibromomethane 521.37
    1,1,2,2-tetrachloroethane 719.87
    2-methyl-cyclohexyl acetate 101.72
    tetrabutyl urea 48.55
    diisobutyl methanol 36.17
    2-phenylethanol 127.75
    styrene 111.29
    dioctyl adipate 74.33
    dimethyl sulfate 108.5
    ethyl butyrate 139.73
    methyl lactate 73.01
    butyl lactate 65.01
    diethyl carbonate 94.67
    propanediol butyl ether 83.79
    triethyl orthoformate 96.54
    p-tert-butyltoluene 39.55
    methyl 4-tert-butylbenzoate 104.43
    morpholine 778.19
    tert-butylamine 103.82
    n-dodecanol 14.05
    dimethoxymethane 258.28
    ethylene carbonate 136.89
    cyrene 116.19
    2-ethoxyethyl acetate 177.02
    2-ethylhexyl acetate 129.35
    1,2,4-trichlorobenzene 228.84
    4-methylpyridine 399.76
    dibutyl ether 55.7
    2,6-dimethyl-4-heptanol 36.17
    DEF 252.26
    dimethyl isosorbide 255.55
    tetrachloroethylene 397.49
    eugenol 101.75
    triacetin 138.57
    span 80 94.63
    1,4-butanediol 38.79
    1,1-dichloroethane 485.48
    2-methyl-1-pentanol 83.88
    methyl formate 83.21
    2-methyl-1-butanol 102.16
    n-decane 2.51
    butyronitrile 188.72
    3,7-dimethyl-1-octanol 39.52
    1-chlorooctane 19.5
    1-chlorotetradecane 7.66
    n-nonane 2.14
    undecane 1.84
    tert-butylcyclohexane 9.27
    cyclooctane 5.51
    cyclopentanol 106.14
    tetrahydropyran 603.11
    tert-amyl methyl ether 119.5
    2,5,8-trioxanonane 282.14
    1-hexene 45.23
    2-isopropoxyethanol 138.1
    2,2,2-trifluoroethanol 39.18
    methyl butyrate 188.16

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.077 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.88 %
Category 2
Products applied to the axillae
 0.023 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.88 %
Category 3
Products applied to the face/body using fingertips
 0.46 % Category 8
Products with significant anogenital exposure
 0.045 %
Category 4
Products related to fine fragrance
 0.43 % Category 9
Products with body and hand exposure, primarily rinse off
 0.84 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.11 % Category 10A
Household care products with mostly hand contact
 3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.11 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.11 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 1.7 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.11 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 1.7 %
Category 6
Products with oral and lip exposure
 0.25 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction