1-Penten-3-ol, 2-methyl-1-(methylbicyclo[2.2.1]hept-5-en-2-yl)-

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  • Identifiers

    CAS number
    67739-11-1

    Molecular formula
    C14H22O

    SMILES
    CCC(/C(=C/C1(CC2CC1C=C2)C)/C)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 78.77%
    Sandalwood 56.42%
    Sweet 53.76%
    Amber 40.25%
    Powdery 39.16%
    Balsamic 38.27%
    Floral 33.4%
    Dry 31.69%
    Musk 29.42%
    Berry 28.32%

     

    Flavor
    Woody 53.98%
    Sweet 44.66%
    Herbal 39.79%
    Wood 33.63%
    Balsam 30.17%
    Herb 30.05%
    Floral 28.93%
    Spicy 27.26%
    Fresh 26.88%
    Spice 25.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.31 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    276°C

    Flash point

    • 117.33 ˚C est.

  • Synonyms

    • Methyl sandeflor
    • EC 415-990-3
    • 1-Penten-3-ol, 2-methyl-1-(methylbicyclo(2.2.1)hept-5-en-2-yl)-
    • 1-Penten-3-ol, 2-methyl-1-(methylbicyclo[2.2.1]hept-5-en-2-yl)-
    • 67739-11-1
    • SCHEMBL3507793
    • RZXAQFGBENAOAJ-CSKARUKUSA-N
    • DTXSID801015026
    • 1-Penten-3-ol, 2-methyl-1-(methylbicyclo2.2.1hept-5-en-2-yl)-
    • 2-Methyl-1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-ol

  • Applications

    1-Penten-3-ol, 2-methyl-1-(methylbicyclo[2.2.1]hept-5-en-2-yl)- (CAS 67739-11-1) is used primarily as an intermediate and specialty ingredient in fragrance chemistry, often serving as an odorant or as a building block for aroma compounds; in cosmetics and personal care it can function as a fragrance constituent; in flavor applications it may be used as an aroma intermediate; in industrial manufacturing it provides a building block for fine chemicals and for synthesis of active compounds; in polymers and plastics and coatings it may act as a specialty monomer derivative or additive for custom formulations; and in household products it can contribute to fragrance profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1049.2
    methanol 697.06
    isopropanol 1228.92
    water 1.18
    ethyl acetate 977.38
    n-propanol 883.08
    acetone 802.1
    n-butanol 1013.4
    acetonitrile 530.25
    DMF 512.13
    toluene 542.25
    isobutanol 698.04
    1,4-dioxane 1318.24
    methyl acetate 629.96
    THF 1733.72
    2-butanone 720.23
    n-pentanol 404.07
    sec-butanol 617.68
    n-hexane 76.43
    ethylene glycol 89.03
    NMP 204.24
    cyclohexane 141.93
    DMSO 237.94
    n-butyl acetate 713.3
    n-octanol 267.87
    chloroform 1204.33
    n-propyl acetate 409.27
    acetic acid 292.44
    dichloromethane 818.76
    cyclohexanone 616.15
    propylene glycol 184.99
    isopropyl acetate 752.4
    DMAc 405.59
    2-ethoxyethanol 544.52
    isopentanol 868.35
    n-heptane 68.72
    ethyl formate 388.0
    1,2-dichloroethane 504.24
    n-hexanol 743.14
    2-methoxyethanol 994.95
    isobutyl acetate 382.18
    tetrachloromethane 218.95
    n-pentyl acetate 341.41
    transcutol 1893.41
    n-heptanol 304.48
    ethylbenzene 235.75
    MIBK 565.45
    2-propoxyethanol 1021.18
    tert-butanol 1074.38
    MTBE 1307.46
    2-butoxyethanol 510.14
    propionic acid 272.19
    o-xylene 265.49
    formic acid 84.71
    diethyl ether 1350.09
    m-xylene 384.95
    p-xylene 287.92
    chlorobenzene 385.72
    dimethyl carbonate 233.23
    n-octane 33.16
    formamide 139.41
    cyclopentanone 627.93
    2-pentanone 797.24
    anisole 463.41
    cyclopentyl methyl ether 659.99
    gamma-butyrolactone 558.22
    1-methoxy-2-propanol 972.19
    pyridine 657.76
    3-pentanone 457.97
    furfural 445.04
    n-dodecane 25.89
    diethylene glycol 534.68
    diisopropyl ether 423.88
    tert-amyl alcohol 572.86
    acetylacetone 633.65
    n-hexadecane 29.8
    acetophenone 307.14
    methyl propionate 521.73
    isopentyl acetate 716.99
    trichloroethylene 845.0
    n-nonanol 232.97
    cyclohexanol 444.8
    benzyl alcohol 281.24
    2-ethylhexanol 363.04
    isooctanol 250.57
    dipropyl ether 492.22
    1,2-dichlorobenzene 299.41
    ethyl lactate 172.83
    propylene carbonate 394.26
    n-methylformamide 266.42
    2-pentanol 664.59
    n-pentane 128.8
    1-propoxy-2-propanol 734.52
    1-methoxy-2-propyl acetate 694.86
    2-(2-methoxypropoxy) propanol 396.34
    mesitylene 248.64
    ε-caprolactone 543.96
    p-cymene 174.72
    epichlorohydrin 799.14
    1,1,1-trichloroethane 567.42
    2-aminoethanol 282.42
    morpholine-4-carbaldehyde 519.2
    sulfolane 324.79
    2,2,4-trimethylpentane 62.57
    2-methyltetrahydrofuran 1045.9
    n-hexyl acetate 478.84
    isooctane 77.63
    2-(2-butoxyethoxy)ethanol 610.44
    sec-butyl acetate 389.35
    tert-butyl acetate 675.7
    decalin 64.11
    glycerin 222.0
    diglyme 988.75
    acrylic acid 174.01
    isopropyl myristate 198.82
    n-butyric acid 676.06
    acetyl acetate 442.25
    di(2-ethylhexyl) phthalate 162.11
    ethyl propionate 369.99
    nitromethane 372.54
    1,2-diethoxyethane 800.1
    benzonitrile 357.64
    trioctyl phosphate 128.19
    1-bromopropane 507.51
    gamma-valerolactone 800.43
    n-decanol 171.49
    triethyl phosphate 145.2
    4-methyl-2-pentanol 468.88
    propionitrile 582.21
    vinylene carbonate 383.05
    1,1,2-trichlorotrifluoroethane 371.34
    DMS 286.99
    cumene 181.18
    2-octanol 193.56
    2-hexanone 373.48
    octyl acetate 220.99
    limonene 215.96
    1,2-dimethoxyethane 856.62
    ethyl orthosilicate 162.74
    tributyl phosphate 150.11
    diacetone alcohol 553.94
    N,N-dimethylaniline 254.98
    acrylonitrile 446.97
    aniline 453.77
    1,3-propanediol 582.45
    bromobenzene 428.29
    dibromomethane 592.17
    1,1,2,2-tetrachloroethane 621.13
    2-methyl-cyclohexyl acetate 293.64
    tetrabutyl urea 156.81
    diisobutyl methanol 254.29
    2-phenylethanol 418.71
    styrene 275.71
    dioctyl adipate 211.51
    dimethyl sulfate 172.01
    ethyl butyrate 442.97
    methyl lactate 222.67
    butyl lactate 250.52
    diethyl carbonate 261.52
    propanediol butyl ether 401.54
    triethyl orthoformate 294.83
    p-tert-butyltoluene 190.48
    methyl 4-tert-butylbenzoate 310.02
    morpholine 1290.06
    tert-butylamine 752.09
    n-dodecanol 131.49
    dimethoxymethane 811.19
    ethylene carbonate 369.92
    cyrene 233.91
    2-ethoxyethyl acetate 510.28
    2-ethylhexyl acetate 483.09
    1,2,4-trichlorobenzene 321.23
    4-methylpyridine 702.47
    dibutyl ether 342.93
    2,6-dimethyl-4-heptanol 254.29
    DEF 473.2
    dimethyl isosorbide 516.24
    tetrachloroethylene 426.81
    eugenol 289.3
    triacetin 342.47
    span 80 318.78
    1,4-butanediol 160.1
    1,1-dichloroethane 712.35
    2-methyl-1-pentanol 375.04
    methyl formate 193.38
    2-methyl-1-butanol 603.84
    n-decane 44.94
    butyronitrile 733.95
    3,7-dimethyl-1-octanol 302.22
    1-chlorooctane 157.26
    1-chlorotetradecane 66.55
    n-nonane 43.44
    undecane 32.54
    tert-butylcyclohexane 71.07
    cyclooctane 57.33
    cyclopentanol 381.44
    tetrahydropyran 1331.47
    tert-amyl methyl ether 547.4
    2,5,8-trioxanonane 561.79
    1-hexene 272.18
    2-isopropoxyethanol 453.14
    2,2,2-trifluoroethanol 112.19
    methyl butyrate 445.42

    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