Linalool, (-)-

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  • Identifiers

    CAS number
    126-91-0

    Molecular formula
    C10H18O

    SMILES
    CC(=CCC[C@](C)(C=C)O)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1100.0
    • Carbowax: 1529.0

  • Odor profile

    Floral 87.93%
    Sweet 73.86%
    Citrus 72.68%
    Fresh 70.54%
    Woody 68.13%
    Green 67.92%
    Rose 60.26%
    Herbal 52.26%
    Lemon 49.56%
    Lavender 46.89%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    195°C

    Flash point est.
    80.6 ˚C

  • Synonyms

    • (-)-Linalool
    • 126-91-0
    • L-Linalool
    • 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-
    • (R)-(-)-Linalool
    • (3R)-Linalool
    • Licareol
    • (R)-3,7-dimethylocta-1,6-dien-3-ol
    • LINALOOL (+)
    • (3R)-3,7-dimethylocta-1,6-dien-3-ol
    • Linalool, (-)-
    • (R)-3,7-Dimethyl-1,6-octadien-3-ol
    • LEVO-LINALOOL
    • 3U21E3V8I2
    • LINALOOL, L-
    • CHEBI:28
    • LINALOOL R-(-)-FORM
    • (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol
    • DTXSID40872607
    • (R)-linalool
    • 3R,7-dimethylocta-1,6-dien-3-ol
    • MFCD00135469
    • laevo-linalool
    • UNII-3U21E3V8I2
    • (-)-3,7-dimethyl-1,6-octadien-3-ol
    • (3R)-3,7-dimethyl-1,6-octadien-3-ol
    • EINECS 204-811-2
    • Spectrum_000212
    • SpecPlus_000909
    • Spectrum2_001944
    • Spectrum3_001173
    • Spectrum4_001777
    • Spectrum5_000393
    • BSPBio_002785
    • KBioGR_002294
    • KBioSS_000692
    • DivK1c_007005
    • SCHEMBL891312
    • SPECTRUM1501212
    • SPBio_002007
    • CHEMBL235672
    • KBio1_001949
    • KBio2_000692
    • KBio2_003260
    • KBio2_005828
    • KBio3_002285
    • DTXCID40820244
    • CDOSHBSSFJOMGT-JTQLQIEISA-N
    • (-)-Linalool, analytical standard
    • CCG-38497
    • L-Linalool, natural, >=95%, FG
    • LINALOOL R-(-)-FORM [MI]
    • AKOS028109218
    • LMPR0102010013
    • SDCCGMLS-0066889.P001
    • SMP2_000331
    • NCGC00095658-01
    • NCGC00095658-02
    • NCGC00095658-03
    • BS-20066
    • HY-116195
    • CS-0064332
    • NS00079246
    • (-)-Linalool, >=95.0% (sum of enantiomers, GC)
    • 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-
    • Q27105200
    • 204-811-2

  • Applications

    L-Linalool (CAS 126-91-0) is a naturally occurring monoterpenoid alcohol widely used in the fragrance and cosmetic industries (as a key floral-green note in perfumes, shampoos, shower gels, lotions), in food and beverages (a low-threshold flavor additive for candies, baked goods, soft drinks), in household care products (fabric softeners, detergents, deodorizers), in scented candles and diffusers for relaxation, in bio-based insecticides because it disrupts insect nervous systems, and it is also being explored in herbal preparations and aromatherapy for its calming properties, although these biological effects still require further safety and clinical validation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 908.67
    methanol 864.09
    isopropanol 666.81
    water 2.64
    ethyl acetate 435.42
    n-propanol 622.99
    acetone 300.66
    n-butanol 751.57
    acetonitrile 258.21
    DMF 286.95
    toluene 198.23
    isobutanol 401.92
    1,4-dioxane 1026.11
    methyl acetate 302.88
    THF 1224.59
    2-butanone 373.12
    n-pentanol 504.95
    sec-butanol 594.36
    n-hexane 268.08
    ethylene glycol 89.72
    NMP 317.27
    cyclohexane 279.77
    DMSO 245.78
    n-butyl acetate 466.73
    n-octanol 411.22
    chloroform 643.62
    n-propyl acetate 255.73
    acetic acid 329.57
    dichloromethane 416.15
    cyclohexanone 457.08
    propylene glycol 197.7
    isopropyl acetate 313.11
    DMAc 379.12
    2-ethoxyethanol 485.73
    isopentanol 585.04
    n-heptane 280.12
    ethyl formate 193.51
    1,2-dichloroethane 226.48
    n-hexanol 896.92
    2-methoxyethanol 732.0
    isobutyl acetate 202.13
    tetrachloromethane 146.73
    n-pentyl acetate 282.29
    transcutol 1561.99
    n-heptanol 399.52
    ethylbenzene 136.83
    MIBK 258.68
    2-propoxyethanol 803.25
    tert-butanol 804.03
    MTBE 720.62
    2-butoxyethanol 461.73
    propionic acid 270.89
    o-xylene 146.26
    formic acid 112.8
    diethyl ether 748.13
    m-xylene 154.64
    p-xylene 172.0
    chlorobenzene 165.18
    dimethyl carbonate 74.77
    n-octane 79.85
    formamide 126.56
    cyclopentanone 374.71
    2-pentanone 379.7
    anisole 250.58
    cyclopentyl methyl ether 571.72
    gamma-butyrolactone 341.72
    1-methoxy-2-propanol 566.42
    pyridine 358.54
    3-pentanone 257.4
    furfural 293.05
    n-dodecane 55.04
    diethylene glycol 385.81
    diisopropyl ether 266.28
    tert-amyl alcohol 715.15
    acetylacetone 245.33
    n-hexadecane 58.89
    acetophenone 184.39
    methyl propionate 252.06
    isopentyl acetate 421.61
    trichloroethylene 353.28
    n-nonanol 369.46
    cyclohexanol 500.53
    benzyl alcohol 180.39
    2-ethylhexanol 532.31
    isooctanol 293.2
    dipropyl ether 570.08
    1,2-dichlorobenzene 146.19
    ethyl lactate 133.49
    propylene carbonate 231.13
    n-methylformamide 168.36
    2-pentanol 535.35
    n-pentane 245.63
    1-propoxy-2-propanol 643.54
    1-methoxy-2-propyl acetate 386.7
    2-(2-methoxypropoxy) propanol 414.47
    mesitylene 112.52
    ε-caprolactone 456.0
    p-cymene 140.31
    epichlorohydrin 416.99
    1,1,1-trichloroethane 287.97
    2-aminoethanol 268.77
    morpholine-4-carbaldehyde 553.75
    sulfolane 280.22
    2,2,4-trimethylpentane 106.12
    2-methyltetrahydrofuran 924.64
    n-hexyl acetate 478.44
    isooctane 82.87
    2-(2-butoxyethoxy)ethanol 599.02
    sec-butyl acetate 230.47
    tert-butyl acetate 351.14
    decalin 110.17
    glycerin 221.4
    diglyme 864.56
    acrylic acid 162.48
    isopropyl myristate 195.72
    n-butyric acid 511.72
    acetyl acetate 212.88
    di(2-ethylhexyl) phthalate 165.16
    ethyl propionate 228.8
    nitromethane 253.96
    1,2-diethoxyethane 625.47
    benzonitrile 188.45
    trioctyl phosphate 126.79
    1-bromopropane 332.68
    gamma-valerolactone 556.43
    n-decanol 265.41
    triethyl phosphate 151.34
    4-methyl-2-pentanol 324.47
    propionitrile 292.01
    vinylene carbonate 191.48
    1,1,2-trichlorotrifluoroethane 279.16
    DMS 181.32
    cumene 109.5
    2-octanol 271.23
    2-hexanone 304.5
    octyl acetate 248.02
    limonene 251.45
    1,2-dimethoxyethane 762.34
    ethyl orthosilicate 176.94
    tributyl phosphate 152.8
    diacetone alcohol 356.21
    N,N-dimethylaniline 191.64
    acrylonitrile 199.35
    aniline 244.51
    1,3-propanediol 421.09
    bromobenzene 158.3
    dibromomethane 352.43
    1,1,2,2-tetrachloroethane 352.31
    2-methyl-cyclohexyl acetate 297.0
    tetrabutyl urea 189.77
    diisobutyl methanol 262.79
    2-phenylethanol 281.83
    styrene 147.87
    dioctyl adipate 235.27
    dimethyl sulfate 84.74
    ethyl butyrate 329.73
    methyl lactate 141.62
    butyl lactate 219.84
    diethyl carbonate 197.4
    propanediol butyl ether 395.74
    triethyl orthoformate 296.89
    p-tert-butyltoluene 147.68
    methyl 4-tert-butylbenzoate 241.97
    morpholine 1179.51
    tert-butylamine 649.7
    n-dodecanol 203.1
    dimethoxymethane 344.74
    ethylene carbonate 194.37
    cyrene 229.08
    2-ethoxyethyl acetate 313.64
    2-ethylhexyl acetate 367.57
    1,2,4-trichlorobenzene 176.94
    4-methylpyridine 370.16
    dibutyl ether 467.75
    2,6-dimethyl-4-heptanol 262.79
    DEF 363.89
    dimethyl isosorbide 518.43
    tetrachloroethylene 254.08
    eugenol 227.68
    triacetin 293.2
    span 80 433.67
    1,4-butanediol 150.9
    1,1-dichloroethane 305.67
    2-methyl-1-pentanol 430.61
    methyl formate 97.93
    2-methyl-1-butanol 494.9
    n-decane 102.42
    butyronitrile 410.82
    3,7-dimethyl-1-octanol 372.52
    1-chlorooctane 222.37
    1-chlorotetradecane 94.92
    n-nonane 105.66
    undecane 70.96
    tert-butylcyclohexane 114.88
    cyclooctane 114.87
    cyclopentanol 384.38
    tetrahydropyran 1045.03
    tert-amyl methyl ether 553.32
    2,5,8-trioxanonane 568.79
    1-hexene 452.39
    2-isopropoxyethanol 371.16
    2,2,2-trifluoroethanol 78.12
    methyl butyrate 279.67

    Scent© AI

1 4

IFRA standard 51

Recommendation
Specification
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 See notebox Category 7A
Rinse-off products applied to the hair with some hand contact
 See notebox
Category 2
Products applied to the axillae
 See notebox Category 7B
Leave-on products applied to the hair with some hand contact
 See notebox
Category 3
Products applied to the face/body using fingertips
 See notebox Category 8
Products with significant anogenital exposure
 See notebox
Category 4
Products related to fine fragrance
 See notebox Category 9
Products with body and hand exposure, primarily rinse off
 See notebox
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 See notebox Category 10A
Household care products with mostly hand contact
 See notebox
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 See notebox Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 See notebox
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 See notebox Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 See notebox
Category 5D
Baby Creams, baby Oils and baby talc
 See notebox Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 See notebox
Category 6
Products with oral and lip exposure
 See notebox Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 See notebox

Specification
Oxidation products of Linalool, especially hydroperoxides, have been demonstrated to be potent sensitizers.
d-, l- and dl-Linalool and natural products containing substantial amounts of it, should only be used when the level of (hydro)peroxides is kept to the lowest practical level, for instance by adding antioxidants at the time of production. The addition of 0.1% BHT or α-Tocopherol for example has shown great efficiency. Such products should have a peroxide value of less than 20 millimoles per liter, determined according to the IFRA analytical method for the determination of the peroxide value, which can be downloaded from the IFRA website (www.ifrafragrance.org).

Botanical

Name CAS Botanical Proportion
Tea Tree (Australia) 9 68647-73-4 Melaleuca alternifolia (Maiden et Betche) Cheel, fam. Myrtaceae 0.01%