(Z)-alpha-ocimene

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  • Identifiers

    CAS number
    6874-44-8

    Molecular formula
    C10H16

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

  • Odor profile

    Floral 68.83%
    Herbal 66.36%
    Citrus 66.26%
    Fruity 59.99%
    Woody 52.29%
    Sweet 50.8%
    Fresh 50.43%
    Tropical 47.6%
    Green 47.36%
    Terpenic 45.33%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    171°C

    Flash point est.
    42.48 ˚C

  • Synonyms

    • (Z)-alpha-ocimene
    • cis-alpha-Ocimene
    • Ocimene cis-alpha-form
    • alpha-Ocimene, (3Z)-
    • UNII-LTP9229T5N
    • Z-3,7-dimethyl-1,3,7-octatriene
    • Ocimene cis-alpha-form [MI]
    • (Z)-3,7-Dimethyl-1,3,7-octatriene
    • LTP9229T5N
    • 3,7-dimethyl-1,3Z,7-octatriene
    • 1,3,7-Octatriene, 3,7-dimethyl-, (3Z)-
    • 6874-44-8
    • cis-3,7-dimethyl-1,3,7-octatriene
    • Alpha cis ocimene
    • cis-I+/--Ocimene
    • (3Z)-alpha-ocimene
    • CIS-.ALPHA.-OCIMENE
    • OCIMENE, CIS-ALPHA-
    • (Z)-.ALPHA.-OCIMENE
    • OCIMENE, CIS-.ALPHA.-
    • OCIMENE CIS-.ALPHA.-FORM
    • XJPBRODHZKDRCB-NTMALXAHSA-N
    • DTXSID701317502
    • .ALPHA.-OCIMENE, (3Z)-
    • LMPR0102010022
    • OCIMENE CIS-.ALPHA.-FORM [MI]
    • Q27283176

  • Applications

    (Z)-alpha-ocimene (CAS 6874-44-8) is a volatile monoterpene used mainly as a fresh top-note with green-herbal, citrus, and floral nuances in perfumery, cosmetics, and home-care (perfumes, soaps, detergents, candles, air-care); in flavor and fragrance development at very low levels (where permitted) to add sweet fruity–herbal facets; as a building block/intermediate in terpenoid and aroma-chemical synthesis; as a reference/internal standard in GC/GC–MS for identification/quantification of biogenic VOCs and essential oil authenticity testing; studied in plant–insect ecology and atmospheric chemistry as a representative VOC for plant defense signaling, pollinator attraction, and contributions to secondary organic aerosol; and explored in eco-friendly pest management as a selective semiochemical (attractant/repellent), noting its oxidation sensitivity, so it is typically stabilized with antioxidants, stored under inert gas, and used at safe concentrations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 648.1
    methanol 369.57
    isopropanol 457.38
    water 0.13
    ethyl acetate 774.91
    n-propanol 535.15
    acetone 350.23
    n-butanol 754.82
    acetonitrile 285.8
    DMF 199.88
    toluene 591.61
    isobutanol 355.27
    1,4-dioxane 1334.76
    methyl acetate 359.91
    THF 1708.56
    2-butanone 527.51
    n-pentanol 530.72
    sec-butanol 605.03
    n-hexane 954.85
    ethylene glycol 36.84
    NMP 254.57
    cyclohexane 867.34
    DMSO 226.5
    n-butyl acetate 1291.17
    n-octanol 398.16
    chloroform 1039.36
    n-propyl acetate 428.17
    acetic acid 182.96
    dichloromethane 749.28
    cyclohexanone 601.63
    propylene glycol 101.04
    isopropyl acetate 527.91
    DMAc 293.49
    2-ethoxyethanol 419.11
    isopentanol 630.65
    n-heptane 1191.4
    ethyl formate 195.63
    1,2-dichloroethane 504.32
    n-hexanol 1318.84
    2-methoxyethanol 468.19
    isobutyl acetate 306.81
    tetrachloromethane 270.93
    n-pentyl acetate 403.43
    transcutol 1726.41
    n-heptanol 422.07
    ethylbenzene 341.24
    MIBK 394.41
    2-propoxyethanol 954.45
    tert-butanol 708.2
    MTBE 1263.66
    2-butoxyethanol 417.69
    propionic acid 182.82
    o-xylene 307.66
    formic acid 33.47
    diethyl ether 1872.27
    m-xylene 359.25
    p-xylene 322.5
    chlorobenzene 348.55
    dimethyl carbonate 77.29
    n-octane 218.8
    formamide 48.41
    cyclopentanone 431.51
    2-pentanone 585.29
    anisole 454.17
    cyclopentyl methyl ether 951.69
    gamma-butyrolactone 326.54
    1-methoxy-2-propanol 439.33
    pyridine 732.88
    3-pentanone 424.14
    furfural 296.16
    n-dodecane 91.58
    diethylene glycol 278.24
    diisopropyl ether 623.0
    tert-amyl alcohol 751.38
    acetylacetone 354.16
    n-hexadecane 103.12
    acetophenone 254.96
    methyl propionate 331.88
    isopentyl acetate 933.66
    trichloroethylene 640.51
    n-nonanol 383.61
    cyclohexanol 557.51
    benzyl alcohol 200.17
    2-ethylhexanol 1020.27
    isooctanol 320.32
    dipropyl ether 2037.91
    1,2-dichlorobenzene 269.46
    ethyl lactate 121.06
    propylene carbonate 243.18
    n-methylformamide 94.55
    2-pentanol 626.84
    n-pentane 727.49
    1-propoxy-2-propanol 932.78
    1-methoxy-2-propyl acetate 705.49
    2-(2-methoxypropoxy) propanol 426.51
    mesitylene 231.83
    ε-caprolactone 522.81
    p-cymene 334.64
    epichlorohydrin 596.43
    1,1,1-trichloroethane 588.72
    2-aminoethanol 128.16
    morpholine-4-carbaldehyde 398.1
    sulfolane 286.39
    2,2,4-trimethylpentane 225.74
    2-methyltetrahydrofuran 1526.52
    n-hexyl acetate 565.32
    isooctane 188.35
    2-(2-butoxyethoxy)ethanol 569.76
    sec-butyl acetate 391.64
    tert-butyl acetate 568.97
    decalin 276.96
    glycerin 98.3
    diglyme 971.53
    acrylic acid 97.95
    isopropyl myristate 269.28
    n-butyric acid 468.55
    acetyl acetate 309.1
    di(2-ethylhexyl) phthalate 177.75
    ethyl propionate 386.5
    nitromethane 175.45
    1,2-diethoxyethane 1447.24
    benzonitrile 262.4
    trioctyl phosphate 134.79
    1-bromopropane 906.44
    gamma-valerolactone 478.67
    n-decanol 279.16
    triethyl phosphate 239.27
    4-methyl-2-pentanol 370.98
    propionitrile 381.73
    vinylene carbonate 176.1
    1,1,2-trichlorotrifluoroethane 258.43
    DMS 211.37
    cumene 217.54
    2-octanol 279.37
    2-hexanone 543.36
    octyl acetate 307.0
    limonene 651.72
    1,2-dimethoxyethane 956.71
    ethyl orthosilicate 298.37
    tributyl phosphate 181.21
    diacetone alcohol 391.37
    N,N-dimethylaniline 294.96
    acrylonitrile 223.44
    aniline 389.5
    1,3-propanediol 227.89
    bromobenzene 402.88
    dibromomethane 743.33
    1,1,2,2-tetrachloroethane 626.74
    2-methyl-cyclohexyl acetate 511.89
    tetrabutyl urea 218.08
    diisobutyl methanol 493.03
    2-phenylethanol 422.49
    styrene 385.44
    dioctyl adipate 292.84
    dimethyl sulfate 75.42
    ethyl butyrate 868.3
    methyl lactate 104.49
    butyl lactate 196.08
    diethyl carbonate 396.83
    propanediol butyl ether 245.63
    triethyl orthoformate 624.49
    p-tert-butyltoluene 328.98
    methyl 4-tert-butylbenzoate 267.87
    morpholine 1429.84
    tert-butylamine 697.03
    n-dodecanol 217.01
    dimethoxymethane 359.68
    ethylene carbonate 195.57
    cyrene 193.84
    2-ethoxyethyl acetate 436.44
    2-ethylhexyl acetate 908.62
    1,2,4-trichlorobenzene 302.99
    4-methylpyridine 666.67
    dibutyl ether 1031.95
    2,6-dimethyl-4-heptanol 493.03
    DEF 512.93
    dimethyl isosorbide 607.82
    tetrachloroethylene 411.16
    eugenol 222.18
    triacetin 302.35
    span 80 431.28
    1,4-butanediol 79.96
    1,1-dichloroethane 567.07
    2-methyl-1-pentanol 509.32
    methyl formate 55.8
    2-methyl-1-butanol 556.26
    n-decane 198.21
    butyronitrile 596.28
    3,7-dimethyl-1-octanol 462.41
    1-chlorooctane 404.78
    1-chlorotetradecane 149.7
    n-nonane 230.78
    undecane 125.65
    tert-butylcyclohexane 259.65
    cyclooctane 380.57
    cyclopentanol 356.69
    tetrahydropyran 1964.16
    tert-amyl methyl ether 1006.24
    2,5,8-trioxanonane 634.59
    1-hexene 1451.09
    2-isopropoxyethanol 344.1
    2,2,2-trifluoroethanol 34.09
    methyl butyrate 443.78

    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
Lemon leaf (petitgrain) (India) 84929-31-7 Citrus limon (L.) Burm. f., cultivar "Plant Lemon-1", fam. Rutaceae 0.1%
Nutmeg (Jamaica) 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.05%