2H-2,4a-Methanonaphthalen-7-ol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, 7-formate

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  • Identifiers

    CAS number
    67874-82-2

    Molecular formula
    C16H24O2

    SMILES
    CC1(CC(C=C2C13CCC(C3)C2(C)C)OC=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 91.25%
    Amber 58.9%
    Cedar 57.59%
    Dry 52.95%
    Vetiver 45.87%
    Balsamic 43.64%
    Sandalwood 42.64%
    Spicy 38.17%
    Pine 37.19%
    Camphoreous 36.2%

     

    Flavor
    Woody 71.68%
    Camphor 53.62%
    Herbal 51.5%
    Pine 47.65%
    Balsam 44.28%
    Sweet 37.77%
    Bitter 35.06%
    Earthy 28.77%
    Spicy 27.87%
    Green 27.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.82 (neutral)

    Molecular weight
    248.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    302°C

    Flash point

    • 130.87 ˚C est.

  • Synonyms

    • 67874-82-2
    • EINECS 267-511-0
    • DTXSID50886997
    • 2H-2,4a-Methanonaphthalen-7-ol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, 7-formate
    • 2H-2,4a-Methanonaphthalen-7-ol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, formate
    • RefChem:90098
    • DTXCID301026313
    • 1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-7-yl formate
    • SCHEMBL26135302
    • WJZMQDGXHGRQSQ-UHFFFAOYSA-N
    • NS00054864
    • 1,1,5,5-Tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalen-7-yl formate
    • 67874-82-2

  • Applications

    2H-2,4a-Methanonaphthalen-7-ol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, 7-formate (CAS 67874-82-2) is primarily used as an intermediate in fragrance chemistry and chemical synthesis; it can function as a fragrance fixative or odorant in perfumery, and may serve as a scent component in cosmetics and personal care products; it may be used as an odorant additive in household products to impart or sustain aroma; it can be considered for use in coatings and inks formulations to contribute fragrance or stabilize odor characteristics; and as an industrial intermediate for further chemical elaboration, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 86.19
    methanol 103.1
    isopropanol 81.97
    water 0.89
    ethyl acetate 338.88
    n-propanol 107.7
    acetone 369.98
    n-butanol 92.37
    acetonitrile 242.33
    DMF 562.84
    toluene 450.29
    isobutanol 76.54
    1,4-dioxane 458.7
    methyl acetate 297.85
    THF 1004.25
    2-butanone 355.29
    n-pentanol 46.85
    sec-butanol 73.17
    n-hexane 7.93
    ethylene glycol 36.36
    NMP 495.55
    cyclohexane 27.83
    DMSO 313.2
    n-butyl acetate 162.44
    n-octanol 37.53
    chloroform 977.94
    n-propyl acetate 156.85
    acetic acid 110.86
    dichloromethane 764.34
    cyclohexanone 496.1
    propylene glycol 44.53
    isopropyl acetate 242.41
    DMAc 398.52
    2-ethoxyethanol 113.8
    isopentanol 83.94
    n-heptane 6.76
    ethyl formate 154.47
    1,2-dichloroethane 483.64
    n-hexanol 80.48
    2-methoxyethanol 223.5
    isobutyl acetate 116.91
    tetrachloromethane 144.16
    n-pentyl acetate 119.79
    transcutol 332.25
    n-heptanol 46.93
    ethylbenzene 144.76
    MIBK 192.04
    2-propoxyethanol 216.7
    tert-butanol 95.83
    MTBE 146.92
    2-butoxyethanol 130.1
    propionic acid 128.3
    o-xylene 199.54
    formic acid 58.05
    diethyl ether 190.25
    m-xylene 259.66
    p-xylene 173.27
    chlorobenzene 427.16
    dimethyl carbonate 247.43
    n-octane 3.08
    formamide 139.15
    cyclopentanone 768.56
    2-pentanone 308.03
    anisole 281.6
    cyclopentyl methyl ether 371.44
    gamma-butyrolactone 753.72
    1-methoxy-2-propanol 230.66
    pyridine 591.64
    3-pentanone 275.77
    furfural 583.65
    n-dodecane 2.48
    diethylene glycol 154.02
    diisopropyl ether 71.43
    tert-amyl alcohol 77.32
    acetylacetone 410.95
    n-hexadecane 3.12
    acetophenone 256.61
    methyl propionate 325.73
    isopentyl acetate 161.73
    trichloroethylene 1029.83
    n-nonanol 38.06
    cyclohexanol 128.56
    benzyl alcohol 164.71
    2-ethylhexanol 53.18
    isooctanol 41.24
    dipropyl ether 78.79
    1,2-dichlorobenzene 363.51
    ethyl lactate 90.67
    propylene carbonate 381.11
    n-methylformamide 273.99
    2-pentanol 68.05
    n-pentane 11.09
    1-propoxy-2-propanol 144.74
    1-methoxy-2-propyl acetate 271.91
    2-(2-methoxypropoxy) propanol 124.17
    mesitylene 128.4
    ε-caprolactone 412.07
    p-cymene 66.56
    epichlorohydrin 823.05
    1,1,1-trichloroethane 486.24
    2-aminoethanol 66.42
    morpholine-4-carbaldehyde 471.98
    sulfolane 648.49
    2,2,4-trimethylpentane 7.69
    2-methyltetrahydrofuran 460.58
    n-hexyl acetate 146.58
    isooctane 7.09
    2-(2-butoxyethoxy)ethanol 140.76
    sec-butyl acetate 137.93
    tert-butyl acetate 246.66
    decalin 17.25
    glycerin 80.8
    diglyme 321.17
    acrylic acid 140.82
    isopropyl myristate 57.11
    n-butyric acid 179.52
    acetyl acetate 268.91
    di(2-ethylhexyl) phthalate 65.48
    ethyl propionate 181.34
    nitromethane 396.27
    1,2-diethoxyethane 129.54
    benzonitrile 274.13
    trioctyl phosphate 46.22
    1-bromopropane 224.49
    gamma-valerolactone 770.36
    n-decanol 27.01
    triethyl phosphate 79.46
    4-methyl-2-pentanol 55.27
    propionitrile 227.62
    vinylene carbonate 377.43
    1,1,2-trichlorotrifluoroethane 388.61
    DMS 247.71
    cumene 81.88
    2-octanol 29.57
    2-hexanone 136.6
    octyl acetate 69.93
    limonene 71.38
    1,2-dimethoxyethane 240.06
    ethyl orthosilicate 71.45
    tributyl phosphate 55.82
    diacetone alcohol 206.51
    N,N-dimethylaniline 159.92
    acrylonitrile 332.84
    aniline 322.94
    1,3-propanediol 98.64
    bromobenzene 485.74
    dibromomethane 487.17
    1,1,2,2-tetrachloroethane 705.39
    2-methyl-cyclohexyl acetate 119.52
    tetrabutyl urea 67.32
    diisobutyl methanol 39.04
    2-phenylethanol 180.01
    styrene 183.51
    dioctyl adipate 82.24
    dimethyl sulfate 362.3
    ethyl butyrate 126.84
    methyl lactate 160.23
    butyl lactate 101.7
    diethyl carbonate 102.43
    propanediol butyl ether 98.02
    triethyl orthoformate 93.18
    p-tert-butyltoluene 64.86
    methyl 4-tert-butylbenzoate 171.58
    morpholine 479.8
    tert-butylamine 61.17
    n-dodecanol 19.28
    dimethoxymethane 400.51
    ethylene carbonate 310.0
    cyrene 161.11
    2-ethoxyethyl acetate 205.78
    2-ethylhexyl acetate 130.78
    1,2,4-trichlorobenzene 420.3
    4-methylpyridine 586.4
    dibutyl ether 45.62
    2,6-dimethyl-4-heptanol 39.04
    DEF 266.51
    dimethyl isosorbide 276.16
    tetrachloroethylene 428.0
    eugenol 162.65
    triacetin 183.98
    span 80 97.36
    1,4-butanediol 34.39
    1,1-dichloroethane 456.05
    2-methyl-1-pentanol 48.23
    methyl formate 232.69
    2-methyl-1-butanol 73.59
    n-decane 4.71
    butyronitrile 180.21
    3,7-dimethyl-1-octanol 44.23
    1-chlorooctane 33.72
    1-chlorotetradecane 11.92
    n-nonane 3.96
    undecane 3.32
    tert-butylcyclohexane 13.5
    cyclooctane 11.4
    cyclopentanol 155.13
    tetrahydropyran 436.39
    tert-amyl methyl ether 114.41
    2,5,8-trioxanonane 185.46
    1-hexene 37.65
    2-isopropoxyethanol 90.97
    2,2,2-trifluoroethanol 110.23
    methyl butyrate 190.02

    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