Cycloheptatriene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    544-25-2

    Molecular formula
    C7H8

    SMILES
    C1C=CC=CC=C1

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • Carbowax: 1056.0

  • Odor profile

    Sweet 37.74%
    Citrus 29.13%
    Gassy 27.83%
    Spicy 25.71%
    Pungent 22.29%
    Warm 20.86%
    Metallic 18.05%
    Green 17.92%
    Dry 17.53%
    Earthy 17.39%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    92.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    116°C

    Flash point est.
    22.44 ˚C

  • Synonyms

    • Cycloheptatriene
    • Cyclohepta-1,3,5-triene
    • 544-25-2
    • 1,3,5-CYCLOHEPTATRIENE
    • Tropilidene
    • Tropilidine
    • Cycloheptatrien
    • Zykloheptatrien
    • Tropyliden
    • 1H-[7]annulene
    • Tropilidin
    • EINECS 208-866-3
    • UN2603
    • P58Q106NTF
    • UNII-P58Q106NTF
    • DTXSID5073909
    • CHEBI:37519
    • 1H-(7)annulene
    • UN 2603
    • Tropiliden
    • Cycloheptatriene; Tropiliden; Tropilidene
    • 1,3,5Cycloheptatriene
    • Cycloheptatriene, 95%
    • DTXCID7041708
    • DTXSID50189016
    • BBL027452
    • MFCD00004146
    • STL373480
    • AKOS000121113
    • FC60817
    • DB-052570
    • NS00022348
    • D89271
    • Cycloheptatriene [UN2603] [Flammable liquid]
    • A830174
    • Q421640

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 69.24
    methanol 63.96
    isopropanol 45.4
    water 0.08
    ethyl acetate 314.54
    n-propanol 69.65
    acetone 85.25
    n-butanol 70.28
    acetonitrile 166.53
    DMF 132.81
    toluene 227.9
    isobutanol 41.93
    1,4-dioxane 289.8
    methyl acetate 189.36
    THF 264.15
    2-butanone 151.87
    n-pentanol 61.69
    sec-butanol 64.85
    n-hexane 54.31
    ethylene glycol 15.32
    NMP 143.22
    cyclohexane 58.74
    DMSO 178.19
    n-butyl acetate 235.2
    n-octanol 42.55
    chloroform 718.34
    n-propyl acetate 157.7
    acetic acid 76.13
    dichloromethane 670.4
    cyclohexanone 152.23
    propylene glycol 23.69
    isopropyl acetate 154.44
    DMAc 164.2
    2-ethoxyethanol 91.18
    isopentanol 59.88
    n-heptane 72.0
    ethyl formate 85.1
    1,2-dichloroethane 364.85
    n-hexanol 88.79
    2-methoxyethanol 111.74
    isobutyl acetate 94.39
    tetrachloromethane 120.6
    n-pentyl acetate 107.52
    transcutol 571.24
    n-heptanol 41.52
    ethylbenzene 119.29
    MIBK 98.44
    2-propoxyethanol 131.15
    tert-butanol 60.6
    MTBE 128.2
    2-butoxyethanol 72.4
    propionic acid 85.32
    o-xylene 122.08
    formic acid 17.39
    diethyl ether 245.75
    m-xylene 127.44
    p-xylene 117.79
    chlorobenzene 214.49
    dimethyl carbonate 69.62
    n-octane 23.04
    formamide 34.41
    cyclopentanone 175.52
    2-pentanone 143.87
    anisole 212.65
    cyclopentyl methyl ether 171.78
    gamma-butyrolactone 204.36
    1-methoxy-2-propanol 99.98
    pyridine 464.23
    3-pentanone 156.3
    furfural 242.94
    n-dodecane 13.91
    diethylene glycol 72.42
    diisopropyl ether 83.02
    tert-amyl alcohol 74.48
    acetylacetone 179.75
    n-hexadecane 15.83
    acetophenone 161.62
    methyl propionate 164.58
    isopentyl acetate 166.12
    trichloroethylene 685.07
    n-nonanol 43.05
    cyclohexanol 57.72
    benzyl alcohol 87.47
    2-ethylhexanol 81.53
    isooctanol 37.44
    dipropyl ether 233.01
    1,2-dichlorobenzene 213.26
    ethyl lactate 54.12
    propylene carbonate 140.46
    n-methylformamide 63.77
    2-pentanol 58.05
    n-pentane 40.1
    1-propoxy-2-propanol 123.21
    1-methoxy-2-propyl acetate 191.63
    2-(2-methoxypropoxy) propanol 117.9
    mesitylene 82.0
    ε-caprolactone 176.03
    p-cymene 82.31
    epichlorohydrin 299.61
    1,1,1-trichloroethane 365.99
    2-aminoethanol 34.33
    morpholine-4-carbaldehyde 197.79
    sulfolane 219.23
    2,2,4-trimethylpentane 20.51
    2-methyltetrahydrofuran 216.26
    n-hexyl acetate 115.49
    isooctane 18.16
    2-(2-butoxyethoxy)ethanol 145.32
    sec-butyl acetate 121.55
    tert-butyl acetate 146.77
    decalin 41.51
    glycerin 34.12
    diglyme 328.35
    acrylic acid 79.81
    isopropyl myristate 65.54
    n-butyric acid 133.69
    acetyl acetate 196.71
    di(2-ethylhexyl) phthalate 54.04
    ethyl propionate 168.43
    nitromethane 154.97
    1,2-diethoxyethane 343.42
    benzonitrile 178.6
    trioctyl phosphate 32.66
    1-bromopropane 273.66
    gamma-valerolactone 202.69
    n-decanol 34.22
    triethyl phosphate 87.28
    4-methyl-2-pentanol 40.41
    propionitrile 174.25
    vinylene carbonate 146.82
    1,1,2-trichlorotrifluoroethane 213.81
    DMS 128.8
    cumene 72.01
    2-octanol 30.98
    2-hexanone 128.41
    octyl acetate 71.1
    limonene 109.36
    1,2-dimethoxyethane 217.54
    ethyl orthosilicate 89.14
    tributyl phosphate 50.07
    diacetone alcohol 105.05
    N,N-dimethylaniline 134.15
    acrylonitrile 193.03
    aniline 138.14
    1,3-propanediol 46.59
    bromobenzene 302.23
    dibromomethane 453.69
    1,1,2,2-tetrachloroethane 495.49
    2-methyl-cyclohexyl acetate 119.63
    tetrabutyl urea 66.14
    diisobutyl methanol 62.47
    2-phenylethanol 102.36
    styrene 178.59
    dioctyl adipate 102.6
    dimethyl sulfate 109.41
    ethyl butyrate 234.43
    methyl lactate 58.06
    butyl lactate 60.32
    diethyl carbonate 154.36
    propanediol butyl ether 53.86
    triethyl orthoformate 151.6
    p-tert-butyltoluene 73.54
    methyl 4-tert-butylbenzoate 111.78
    morpholine 268.7
    tert-butylamine 50.73
    n-dodecanol 29.33
    dimethoxymethane 124.44
    ethylene carbonate 112.32
    cyrene 83.35
    2-ethoxyethyl acetate 165.61
    2-ethylhexyl acetate 151.94
    1,2,4-trichlorobenzene 238.27
    4-methylpyridine 307.95
    dibutyl ether 143.2
    2,6-dimethyl-4-heptanol 62.47
    DEF 190.53
    dimethyl isosorbide 211.37
    tetrachloroethylene 320.49
    eugenol 97.49
    triacetin 143.64
    span 80 99.75
    1,4-butanediol 18.59
    1,1-dichloroethane 281.31
    2-methyl-1-pentanol 65.13
    methyl formate 43.06
    2-methyl-1-butanol 62.65
    n-decane 23.14
    butyronitrile 156.78
    3,7-dimethyl-1-octanol 57.93
    1-chlorooctane 60.45
    1-chlorotetradecane 28.87
    n-nonane 24.18
    undecane 16.83
    tert-butylcyclohexane 34.4
    cyclooctane 37.07
    cyclopentanol 49.71
    tetrahydropyran 236.75
    tert-amyl methyl ether 124.33
    2,5,8-trioxanonane 247.41
    1-hexene 130.71
    2-isopropoxyethanol 72.8
    2,2,2-trifluoroethanol 27.11
    methyl butyrate 174.32

    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
Narcissus tazetta headspace (China) 2 8023-75-4 Narcissus tazetta L. var chinensis Roem. f. florepleno, fam.Amaryllidaceae 0.78%
Narcissus tazetta headspace (China) 4 8023-75-4 Narcissus tazetta L. var. Xiaohuabai, fam. Amaryllidaceae 1.23%