Dehydrolinalool

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  • Identifiers

    CAS number
    29171-20-8

    Molecular formula
    C10H16O

    SMILES
    CC(=CCCC(C)(C#C)O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Woody 71.95%
    Sweet 69.07%
    Floral 54.14%
    Citrus 47.07%
    Dry 42.17%
    Fresh 40.27%
    Lemon 39.38%
    Waxy 37.61%
    Powdery 31.93%
    Balsamic 31.16%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -58.00 to -56.00 °C. @ 760.00 mm Hg

    Boiling point

    • 198.00 to 199.00 °C. @ 760.00 mm Hg

    Flash point est.
    74.03 ˚C

    Flash point expt.

    • 85 °C

  • Synonyms

    • 3,7-Dimethyloct-6-en-1-yn-3-ol
    • 29171-20-8
    • Dehydrolinalool
    • 3,7-Dimethyl-6-octen-1-yn-3-ol
    • 6-Octen-1-yn-3-ol, 3,7-dimethyl-
    • 2-Dehydrolinalool
    • Linalool, dehydro-
    • (+/-)-dehydrolinalool
    • Dehydro-.beta.-linalool
    • (E)-3,7-Dimethyl-1,5,7-octatrien-3-ol
    • Dehydrolinalool, (+/-)-
    • EINECS 249-482-6
    • AI3-25065
    • L06OT2435M
    • beta-Linalool, dehydro-
    • MFCD00129075
    • DTXSID6057588
    • EC 249-482-6
    • 2,7-Dimethyl-7-octen-5-yn-4-ol
    • 2,6-DIMETHYL-2-OCTEN-7-YN-6-OL
    • 3,7-DIMETHYL-3-HYDROXY-6-OCTEN-1-YNE
    • Linalool, dehydro- (6CI)
    • Dehydro-Linalool
    • Linalool, dehydro
    • 2,6-Dimethyl-2-octen-7-yn-6-ol; 3,7-Dimethyl-3-hydroxy-6-octen-1-yne; Dehydro-beta-linalool; Dehydrolinalool
    • 3,7Dimethyloct6en1yn3ol
    • Linalool, dehydro (6CI)
    • Linalool, dehydro-(6CI)
    • DEHYDRO-BETA-LINALOOL
    • 6Octen1yn3ol, 3,7dimethyl
    • UNII-L06OT2435M
    • SCHEMBL2227167
    • DTXCID20813876
    • CHEBI:171913
    • EBA17120
    • 3,7-dimethyl-6-octen-1-in-3-ol
    • BBL028245
    • STK709234
    • AKOS005522626
    • FS-4949
    • SY083800
    • DB-105233
    • CS-0158582
    • D5752
    • NS00009001
    • ( inverted exclamation markA)-Dehydrolinalool
    • D84169
    • 3,7-dimethyl-oct-6-en-1-yn-3-ol, AldrichCPR
    • EN300-2510794
    • A1-01870
    • Q27893849

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1951.93
    methanol 2701.23
    isopropanol 1269.23
    water 24.14
    ethyl acetate 546.71
    n-propanol 1216.39
    acetone 645.66
    n-butanol 1231.57
    acetonitrile 562.56
    DMF 834.55
    toluene 154.53
    isobutanol 677.63
    1,4-dioxane 1339.19
    methyl acetate 448.33
    THF 1332.99
    2-butanone 512.59
    n-pentanol 654.14
    sec-butanol 839.48
    n-hexane 134.18
    ethylene glycol 490.35
    NMP 539.93
    cyclohexane 171.85
    DMSO 542.24
    n-butyl acetate 369.88
    n-octanol 368.82
    chloroform 864.53
    n-propyl acetate 304.98
    acetic acid 1003.12
    dichloromethane 634.16
    cyclohexanone 587.77
    propylene glycol 635.8
    isopropyl acetate 325.87
    DMAc 629.47
    2-ethoxyethanol 821.09
    isopentanol 713.3
    n-heptane 130.23
    ethyl formate 398.69
    1,2-dichloroethane 319.6
    n-hexanol 792.97
    2-methoxyethanol 1504.96
    isobutyl acetate 200.4
    tetrachloromethane 183.18
    n-pentyl acetate 258.14
    transcutol 1766.9
    n-heptanol 388.39
    ethylbenzene 94.33
    MIBK 252.17
    2-propoxyethanol 968.06
    tert-butanol 1037.14
    MTBE 561.92
    2-butoxyethanol 561.54
    propionic acid 640.1
    o-xylene 107.31
    formic acid 665.12
    diethyl ether 775.16
    m-xylene 111.73
    p-xylene 126.63
    chlorobenzene 179.49
    dimethyl carbonate 158.78
    n-octane 41.49
    formamide 702.83
    cyclopentanone 540.22
    2-pentanone 476.07
    anisole 265.86
    cyclopentyl methyl ether 524.79
    gamma-butyrolactone 562.29
    1-methoxy-2-propanol 960.73
    pyridine 471.65
    3-pentanone 306.37
    furfural 513.8
    n-dodecane 31.85
    diethylene glycol 771.57
    diisopropyl ether 185.51
    tert-amyl alcohol 732.26
    acetylacetone 366.77
    n-hexadecane 34.05
    acetophenone 200.98
    methyl propionate 357.31
    isopentyl acetate 301.51
    trichloroethylene 480.16
    n-nonanol 303.86
    cyclohexanol 606.75
    benzyl alcohol 239.79
    2-ethylhexanol 368.06
    isooctanol 249.18
    dipropyl ether 395.41
    1,2-dichlorobenzene 158.11
    ethyl lactate 200.8
    propylene carbonate 346.99
    n-methylformamide 606.31
    2-pentanol 667.77
    n-pentane 163.39
    1-propoxy-2-propanol 621.26
    1-methoxy-2-propyl acetate 352.44
    2-(2-methoxypropoxy) propanol 415.11
    mesitylene 75.38
    ε-caprolactone 515.59
    p-cymene 85.25
    epichlorohydrin 554.87
    1,1,1-trichloroethane 311.72
    2-aminoethanol 910.47
    morpholine-4-carbaldehyde 837.21
    sulfolane 444.04
    2,2,4-trimethylpentane 55.55
    2-methyltetrahydrofuran 848.3
    n-hexyl acetate 397.51
    isooctane 41.04
    2-(2-butoxyethoxy)ethanol 644.95
    sec-butyl acetate 213.65
    tert-butyl acetate 313.23
    decalin 57.0
    glycerin 754.57
    diglyme 991.7
    acrylic acid 482.58
    isopropyl myristate 153.44
    n-butyric acid 833.52
    acetyl acetate 316.82
    di(2-ethylhexyl) phthalate 144.09
    ethyl propionate 263.79
    nitromethane 839.71
    1,2-diethoxyethane 521.45
    benzonitrile 239.72
    trioctyl phosphate 123.17
    1-bromopropane 300.58
    gamma-valerolactone 886.3
    n-decanol 213.83
    triethyl phosphate 139.79
    4-methyl-2-pentanol 301.0
    propionitrile 491.27
    vinylene carbonate 323.39
    1,1,2-trichlorotrifluoroethane 563.78
    DMS 217.06
    cumene 78.24
    2-octanol 234.35
    2-hexanone 306.28
    octyl acetate 203.01
    limonene 151.67
    1,2-dimethoxyethane 1018.47
    ethyl orthosilicate 154.53
    tributyl phosphate 140.78
    diacetone alcohol 400.64
    N,N-dimethylaniline 183.45
    acrylonitrile 428.3
    aniline 293.41
    1,3-propanediol 1086.6
    bromobenzene 150.29
    dibromomethane 431.95
    1,1,2,2-tetrachloroethane 464.5
    2-methyl-cyclohexyl acetate 222.84
    tetrabutyl urea 168.78
    diisobutyl methanol 178.5
    2-phenylethanol 262.7
    styrene 116.28
    dioctyl adipate 207.35
    dimethyl sulfate 172.18
    ethyl butyrate 290.68
    methyl lactate 276.75
    butyl lactate 244.65
    diethyl carbonate 196.94
    propanediol butyl ether 545.03
    triethyl orthoformate 239.77
    p-tert-butyltoluene 89.92
    methyl 4-tert-butylbenzoate 238.18
    morpholine 1530.46
    tert-butylamine 691.64
    n-dodecanol 157.55
    dimethoxymethane 592.8
    ethylene carbonate 324.7
    cyrene 289.24
    2-ethoxyethyl acetate 323.68
    2-ethylhexyl acetate 249.27
    1,2,4-trichlorobenzene 188.93
    4-methylpyridine 409.98
    dibutyl ether 304.77
    2,6-dimethyl-4-heptanol 178.5
    DEF 481.96
    dimethyl isosorbide 466.89
    tetrachloroethylene 354.34
    eugenol 254.93
    triacetin 331.09
    span 80 418.84
    1,4-butanediol 397.58
    1,1-dichloroethane 364.52
    2-methyl-1-pentanol 425.17
    methyl formate 369.47
    2-methyl-1-butanol 616.26
    n-decane 56.44
    butyronitrile 591.17
    3,7-dimethyl-1-octanol 269.25
    1-chlorooctane 157.2
    1-chlorotetradecane 65.87
    n-nonane 56.57
    undecane 40.1
    tert-butylcyclohexane 58.24
    cyclooctane 58.61
    cyclopentanol 586.25
    tetrahydropyran 1101.53
    tert-amyl methyl ether 407.4
    2,5,8-trioxanonane 648.01
    1-hexene 296.9
    2-isopropoxyethanol 492.27
    2,2,2-trifluoroethanol 307.0
    methyl butyrate 329.37

    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