Ocimene

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  • Identifiers

    CAS number
    29714-87-2

    Molecular formula
    C10H16

    SMILES
    CC(C)/C=C/C=C(\C)/C=C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Herbal 68.67%
    Green 63.93%
    Citrus 56.26%
    Woody 53.51%
    Fresh 50.35%
    Floral 48.57%
    Sweet 46.97%
    Tropical 45.22%
    Terpenic 44.25%
    Fruity 43.41%

     

    Flavor
    Citrus 43.64%
    Herbal 37.53%
    Terpene 34.13%
    Herb 31.1%
    Spicy 30.73%
    Balsam 30.39%
    Woody 29.96%
    Sweet 28.58%
    Balsamic 26.64%
    Wood 26.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    9.7 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    172°C

    Flash point

    • 46.18 ˚C est.

  • Synonyms

    • EINECS 249-805-0
    • 2,6-Dimethyloctane, hexadehydro derivative
    • 29714-87-2
    • 11LWZ8H108
    • Octatriene, dimethyl-
    • ocimenes
    • UNII-11LWZ8H108
    • OCIMENE [MI]
    • CHEBI:87751
    • PMRMCTRIVCIICU-LQPGMRSMSA-N

  • Applications

    Ocimene (CAS 29714-87-2) is a monoterpene odorant primarily used as a fragrance ingredient in perfumery and in cosmetics/personal care formulations; it is also employed in household and cleaning products to impart a fresh aroma, and can act as an intermediate in fragrance chemistry for the synthesis of related aroma compounds; its volatility supports use as a volatile odorant in various scent formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 297.34
    methanol 129.96
    isopropanol 249.7
    water 0.03
    ethyl acetate 503.41
    n-propanol 263.62
    acetone 344.99
    n-butanol 397.58
    acetonitrile 196.31
    DMF 177.96
    toluene 521.14
    isobutanol 210.04
    1,4-dioxane 839.47
    methyl acetate 269.2
    THF 1507.55
    2-butanone 427.78
    n-pentanol 300.64
    sec-butanol 340.26
    n-hexane 835.55
    ethylene glycol 15.28
    NMP 254.8
    cyclohexane 766.17
    DMSO 224.62
    n-butyl acetate 1179.82
    n-octanol 291.62
    chloroform 907.78
    n-propyl acetate 341.2
    acetic acid 112.7
    dichloromethane 645.94
    cyclohexanone 588.48
    propylene glycol 48.74
    isopropyl acetate 369.55
    DMAc 240.29
    2-ethoxyethanol 203.75
    isopentanol 385.03
    n-heptane 1014.23
    ethyl formate 139.32
    1,2-dichloroethane 447.54
    n-hexanol 890.41
    2-methoxyethanol 228.92
    isobutyl acetate 275.75
    tetrachloromethane 231.86
    n-pentyl acetate 351.83
    transcutol 1076.71
    n-heptanol 287.55
    ethylbenzene 316.56
    MIBK 322.96
    2-propoxyethanol 589.37
    tert-butanol 444.98
    MTBE 880.79
    2-butoxyethanol 268.8
    propionic acid 108.79
    o-xylene 273.69
    formic acid 12.42
    diethyl ether 1158.46
    m-xylene 334.39
    p-xylene 335.7
    chlorobenzene 364.44
    dimethyl carbonate 61.09
    n-octane 199.14
    formamide 20.82
    cyclopentanone 496.41
    2-pentanone 473.31
    anisole 368.25
    cyclopentyl methyl ether 803.2
    gamma-butyrolactone 340.47
    1-methoxy-2-propanol 254.72
    pyridine 581.36
    3-pentanone 343.7
    furfural 262.33
    n-dodecane 90.49
    diethylene glycol 146.21
    diisopropyl ether 439.92
    tert-amyl alcohol 461.66
    acetylacetone 315.86
    n-hexadecane 106.24
    acetophenone 235.78
    methyl propionate 238.07
    isopentyl acetate 893.02
    trichloroethylene 643.26
    n-nonanol 283.07
    cyclohexanol 421.36
    benzyl alcohol 158.29
    2-ethylhexanol 776.98
    isooctanol 234.97
    dipropyl ether 1583.04
    1,2-dichlorobenzene 283.36
    ethyl lactate 89.4
    propylene carbonate 247.99
    n-methylformamide 56.71
    2-pentanol 377.89
    n-pentane 511.17
    1-propoxy-2-propanol 642.85
    1-methoxy-2-propyl acetate 567.22
    2-(2-methoxypropoxy) propanol 323.26
    mesitylene 232.47
    ε-caprolactone 477.47
    p-cymene 327.74
    epichlorohydrin 543.3
    1,1,1-trichloroethane 603.54
    2-aminoethanol 50.85
    morpholine-4-carbaldehyde 299.04
    sulfolane 352.81
    2,2,4-trimethylpentane 188.73
    2-methyltetrahydrofuran 1323.51
    n-hexyl acetate 502.33
    isooctane 163.2
    2-(2-butoxyethoxy)ethanol 396.65
    sec-butyl acetate 316.66
    tert-butyl acetate 454.12
    decalin 276.85
    glycerin 46.02
    diglyme 720.65
    acrylic acid 64.67
    isopropyl myristate 256.47
    n-butyric acid 310.32
    acetyl acetate 234.11
    di(2-ethylhexyl) phthalate 167.96
    ethyl propionate 293.64
    nitromethane 135.15
    1,2-diethoxyethane 990.68
    benzonitrile 245.67
    trioctyl phosphate 130.0
    1-bromopropane 774.16
    gamma-valerolactone 435.79
    n-decanol 212.58
    triethyl phosphate 217.11
    4-methyl-2-pentanol 245.47
    propionitrile 236.51
    vinylene carbonate 162.82
    1,1,2-trichlorotrifluoroethane 215.92
    DMS 196.74
    cumene 208.84
    2-octanol 214.32
    2-hexanone 477.01
    octyl acetate 289.45
    limonene 630.73
    1,2-dimethoxyethane 621.97
    ethyl orthosilicate 254.75
    tributyl phosphate 172.19
    diacetone alcohol 316.57
    N,N-dimethylaniline 260.23
    acrylonitrile 157.69
    aniline 295.76
    1,3-propanediol 102.31
    bromobenzene 448.89
    dibromomethane 660.47
    1,1,2,2-tetrachloroethane 613.91
    2-methyl-cyclohexyl acetate 456.09
    tetrabutyl urea 218.14
    diisobutyl methanol 415.81
    2-phenylethanol 326.09
    styrene 352.93
    dioctyl adipate 292.37
    dimethyl sulfate 76.53
    ethyl butyrate 729.42
    methyl lactate 70.01
    butyl lactate 168.76
    diethyl carbonate 342.89
    propanediol butyl ether 166.38
    triethyl orthoformate 509.65
    p-tert-butyltoluene 334.22
    methyl 4-tert-butylbenzoate 252.31
    morpholine 917.73
    tert-butylamine 462.07
    n-dodecanol 174.55
    dimethoxymethane 260.68
    ethylene carbonate 169.36
    cyrene 172.65
    2-ethoxyethyl acetate 347.81
    2-ethylhexyl acetate 851.77
    1,2,4-trichlorobenzene 315.01
    4-methylpyridine 582.87
    dibutyl ether 850.29
    2,6-dimethyl-4-heptanol 415.81
    DEF 375.49
    dimethyl isosorbide 541.64
    tetrachloroethylene 362.93
    eugenol 194.59
    triacetin 281.35
    span 80 335.77
    1,4-butanediol 37.81
    1,1-dichloroethane 521.88
    2-methyl-1-pentanol 328.27
    methyl formate 41.49
    2-methyl-1-butanol 339.18
    n-decane 186.22
    butyronitrile 415.09
    3,7-dimethyl-1-octanol 360.32
    1-chlorooctane 375.77
    1-chlorotetradecane 147.9
    n-nonane 219.66
    undecane 121.66
    tert-butylcyclohexane 244.67
    cyclooctane 353.5
    cyclopentanol 272.51
    tetrahydropyran 1533.87
    tert-amyl methyl ether 701.87
    2,5,8-trioxanonane 487.07
    1-hexene 1223.84
    2-isopropoxyethanol 196.59
    2,2,2-trifluoroethanol 21.48
    methyl butyrate 353.06

    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