Nerol oxide

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  • Identifiers

    CAS number
    1786-08-9

    Molecular formula
    C10H16O

    SMILES
    CC1=CCOC(C1)C=C(C)C

    Retention indicies (RI)

    • DB5: 1159.5
    • Carbowax: 1462.0

  • Odor profile

    Green 83.35%
    Floral 80.37%
    Herbal 80.34%
    Mint 53.38%
    Geranium 52.35%
    Fresh 49.28%
    Spicy 46.81%
    Vegetable 45.71%
    Rose 44.57%
    Citrus 41.91%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 201.00 to 202.00 °C. @ 760.00 mm Hg

    Flash point est.
    59.77 ˚C

    Solubility expt.

    • Insoluble in water; slightly soluble in fat
    • soluble (in ethanol)

  • Synonyms

    • Nerol oxide
    • 1786-08-9
    • 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
    • Neryl oxide
    • 2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)-
    • FEMA No. 3661
    • 3,6-Dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
    • 2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-
    • 4-methyl-2-(2-methylprop-1-en-1-yl)-3,6-dihydro-2H-pyran
    • EINECS 217-241-4
    • 3,6-Dihydro-4-methyl-2-(2-methylpropenyl)-2H-pyran
    • BRN 1562957
    • NSW8112Y7S
    • 3,6-DIHYDRO-4-METHYL-2-(2-METHYLPROPEN-1-YL)-2H-PYRAN
    • 2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methylpropenyl)-
    • (+/-)-NEROL OXIDE
    • 2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propeyl)-
    • DTXSID6051805
    • CHEBI:144705
    • NEROL OXIDE, (+/-)-
    • 5-17-01-00406 (Beilstein Handbook Reference)
    • 4-methyl-2-(2-methyl-1-propen-1-yl)-3,6-dihydro-2H-pyran
    • xi-3,6-Dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
    • 3,6-DIHYDRO-4-METHYL-2-(2-METHYLPROPEN-1-YL)-2H-PYRAN [FHFI]
    • UNII-NSW8112Y7S
    • MFCD00468102
    • SCHEMBL1471767
    • DTXCID6030360
    • AKOS006272246
    • PS-18205
    • SY322890
    • NS00013022
    • P20607
    • Q27285033
    • 3,6-dihydro-4-methyl-2-(2-methyl-1-pro-penyl)-2h-pyran
    • 2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methylpropenyl)-(7CI)
    • 4-Methyl-2-(2-methyl-1-propenyl)-3,6-dihydro-2H-pyran #
    • 217-241-4

  • Applications

    Nerol oxide (CAS 1786-08-9) is a monoterpene oxide with a characteristic orange-blossom, citrus, and tea-like aroma, widely used in fragrance and flavor applications as an odorant and modulator: it brightens and adds fresh, green, lightly honeyed nuances to neroli/orange-blossom, citrus, rose, and tea accords; enhances top notes in fine fragrances, body sprays, personal care, and household products; in flavors it is dosed at trace levels to lift citrus, peach–apricot, muscat grape, lychee, tea, carbonated beverages, and confectionery, improving freshness and extending aftertaste; it is also employed as a GC–MS reference/standard and in sensory research, and as a building block when reconstructing natural oil profiles; because of its high odor impact and oxidation sensitivity, it is typically pre-diluted, carefully blended, and stored airtight away from light, with use aligned to applicable safety guidelines and local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 284.81
    methanol 194.17
    isopropanol 307.97
    water 1.12
    ethyl acetate 259.55
    n-propanol 270.97
    acetone 266.63
    n-butanol 322.34
    acetonitrile 299.08
    DMF 211.91
    toluene 257.64
    isobutanol 219.68
    1,4-dioxane 586.01
    methyl acetate 230.81
    THF 735.52
    2-butanone 262.02
    n-pentanol 194.14
    sec-butanol 291.56
    n-hexane 198.19
    ethylene glycol 57.65
    NMP 258.24
    cyclohexane 373.79
    DMSO 213.78
    n-butyl acetate 282.79
    n-octanol 242.07
    chloroform 1212.65
    n-propyl acetate 153.66
    acetic acid 277.92
    dichloromethane 704.72
    cyclohexanone 409.87
    propylene glycol 126.04
    isopropyl acetate 157.47
    DMAc 226.44
    2-ethoxyethanol 175.88
    isopentanol 240.49
    n-heptane 260.38
    ethyl formate 160.47
    1,2-dichloroethane 312.11
    n-hexanol 446.85
    2-methoxyethanol 257.97
    isobutyl acetate 120.22
    tetrachloromethane 244.21
    n-pentyl acetate 178.08
    transcutol 667.75
    n-heptanol 197.61
    ethylbenzene 148.17
    MIBK 145.23
    2-propoxyethanol 373.68
    tert-butanol 366.13
    MTBE 272.94
    2-butoxyethanol 211.76
    propionic acid 220.7
    o-xylene 181.17
    formic acid 50.49
    diethyl ether 315.49
    m-xylene 179.3
    p-xylene 186.03
    chlorobenzene 262.41
    dimethyl carbonate 76.11
    n-octane 74.99
    formamide 62.88
    cyclopentanone 392.4
    2-pentanone 219.1
    anisole 195.95
    cyclopentyl methyl ether 361.09
    gamma-butyrolactone 377.75
    1-methoxy-2-propanol 254.12
    pyridine 408.36
    3-pentanone 190.45
    furfural 319.11
    n-dodecane 58.53
    diethylene glycol 211.51
    diisopropyl ether 122.19
    tert-amyl alcohol 295.41
    acetylacetone 184.43
    n-hexadecane 64.7
    acetophenone 169.64
    methyl propionate 186.72
    isopentyl acetate 235.88
    trichloroethylene 599.37
    n-nonanol 213.58
    cyclohexanol 384.39
    benzyl alcohol 162.92
    2-ethylhexanol 288.61
    isooctanol 146.96
    dipropyl ether 320.82
    1,2-dichlorobenzene 230.65
    ethyl lactate 111.14
    propylene carbonate 268.38
    n-methylformamide 109.52
    2-pentanol 249.99
    n-pentane 198.82
    1-propoxy-2-propanol 324.38
    1-methoxy-2-propyl acetate 232.34
    2-(2-methoxypropoxy) propanol 248.33
    mesitylene 125.52
    ε-caprolactone 335.73
    p-cymene 157.75
    epichlorohydrin 386.06
    1,1,1-trichloroethane 466.67
    2-aminoethanol 125.88
    morpholine-4-carbaldehyde 290.39
    sulfolane 346.55
    2,2,4-trimethylpentane 73.06
    2-methyltetrahydrofuran 554.52
    n-hexyl acetate 297.35
    isooctane 57.41
    2-(2-butoxyethoxy)ethanol 313.82
    sec-butyl acetate 119.12
    tert-butyl acetate 165.49
    decalin 112.82
    glycerin 130.25
    diglyme 457.39
    acrylic acid 167.46
    isopropyl myristate 149.42
    n-butyric acid 338.58
    acetyl acetate 179.73
    di(2-ethylhexyl) phthalate 136.8
    ethyl propionate 147.83
    nitromethane 251.92
    1,2-diethoxyethane 264.73
    benzonitrile 246.6
    trioctyl phosphate 102.56
    1-bromopropane 323.65
    gamma-valerolactone 371.71
    n-decanol 167.8
    triethyl phosphate 120.46
    4-methyl-2-pentanol 133.48
    propionitrile 256.2
    vinylene carbonate 240.4
    1,1,2-trichlorotrifluoroethane 308.51
    DMS 177.74
    cumene 114.89
    2-octanol 146.6
    2-hexanone 172.12
    octyl acetate 187.36
    limonene 236.32
    1,2-dimethoxyethane 294.45
    ethyl orthosilicate 122.99
    tributyl phosphate 118.82
    diacetone alcohol 186.12
    N,N-dimethylaniline 158.58
    acrylonitrile 231.68
    aniline 239.98
    1,3-propanediol 170.59
    bromobenzene 288.42
    dibromomethane 584.17
    1,1,2,2-tetrachloroethane 571.85
    2-methyl-cyclohexyl acetate 204.1
    tetrabutyl urea 140.77
    diisobutyl methanol 155.12
    2-phenylethanol 215.48
    styrene 163.06
    dioctyl adipate 195.85
    dimethyl sulfate 95.99
    ethyl butyrate 207.74
    methyl lactate 115.24
    butyl lactate 154.28
    diethyl carbonate 157.73
    propanediol butyl ether 230.22
    triethyl orthoformate 170.56
    p-tert-butyltoluene 155.9
    methyl 4-tert-butylbenzoate 210.0
    morpholine 594.33
    tert-butylamine 293.01
    n-dodecanol 136.72
    dimethoxymethane 179.61
    ethylene carbonate 213.44
    cyrene 184.48
    2-ethoxyethyl acetate 191.21
    2-ethylhexyl acetate 210.95
    1,2,4-trichlorobenzene 264.66
    4-methylpyridine 348.82
    dibutyl ether 256.14
    2,6-dimethyl-4-heptanol 155.12
    DEF 202.71
    dimethyl isosorbide 357.74
    tetrachloroethylene 358.51
    eugenol 177.73
    triacetin 258.85
    span 80 280.26
    1,4-butanediol 77.86
    1,1-dichloroethane 424.74
    2-methyl-1-pentanol 171.2
    methyl formate 90.06
    2-methyl-1-butanol 243.91
    n-decane 91.85
    butyronitrile 316.93
    3,7-dimethyl-1-octanol 214.29
    1-chlorooctane 185.84
    1-chlorotetradecane 98.39
    n-nonane 97.15
    undecane 70.49
    tert-butylcyclohexane 96.46
    cyclooctane 143.78
    cyclopentanol 334.3
    tetrahydropyran 702.19
    tert-amyl methyl ether 215.6
    2,5,8-trioxanonane 361.32
    1-hexene 280.41
    2-isopropoxyethanol 152.26
    2,2,2-trifluoroethanol 87.21
    methyl butyrate 171.64

    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

Botanical

Name CAS Botanical Proportion
Dragonhead Dracocephalum moldavica L., fam. Lamiaceae (Labiatae) 0.1%
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.02%
Rose (Bulgaria) 3a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.09%
Clary sage flower 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Myrtle leaf (Morocco) 4 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.01%
Myrtle leaf (Tunisia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.02%
Myrtle leaf (Lebanon) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.01%
Myrtle leaf (France) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.01%
Zanthoxylum nitidum (Vietnam) Zanthoxylum nitidum DC., fam Rutaceae 0.15%
Valeriana javanica root (Indonesia) Valeriana javanica Blume, fam. Valerianaceae 0.05%
Rose (Bulgaria) 3b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.03%
Lemon balm (Italy) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.94%
Helichrysum italicum (France-Corsica) 8025-95-8 Helichyrsum italicum (Roth) G. Don ssp.italicum, fam. Asteraceae (Compos.) 0.5%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.1%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Thymus lotocephallus (Portugal) flower Thymus lotocephallus G. Lopez & R. Morales, fam. Lamiaceae (Labiatae) 0.3%
Rose (Turkey) 8 8007-01-0 Rosa damascena Miller, fam. Rosaceae 0.1%