2-Cyclohepten-1-one

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  • Identifiers

    CAS number
    1121-66-0

    Molecular formula
    C7H10O

    SMILES
    C1CCC(=O)C=CC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 65.36%
    Green 51.39%
    Herbal 40.15%
    Ketonic 40.08%
    Coumarinic 36.81%
    Nutty 35.26%
    Roasted 33.98%
    Caramellic 32.1%
    Fruity 31.64%
    Coconut 30.55%

     

    Flavor
    Minty 44.42%
    Spice 27.18%
    Mint 24.75%
    Cherry 21.75%
    Shrimp 21.65%
    Fatty 20.7%
    Phenolic 20.56%
    Basil 20.28%
    Maple syrup 20.2%
    Camphor 19.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.87 (neutral)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    190°C

    Flash point

    • 64.5 ˚C est.

  • Synonyms

    • 2-Cyclohepten-1-one
    • 1121-66-0
    • Cyclohept-2-en-1-one
    • DTXSID30149916
    • 2-cycloheptene-1-one
    • RefChem:86591
    • DTXCID8072407
    • 214-334-1
    • Cyclohept-2-enone
    • 2-Cycloheptenone
    • Tropilene
    • Cycloheptenone
    • MFCD00004157
    • (Z)-cyclohept-2-enone
    • NSC 155333
    • cyclohept-2-eneone
    • cyclohept-en-1-one
    • EINECS 214-334-1
    • SCHEMBL446593
    • SCHEMBL14832620
    • NSC155333
    • AKOS005266486
    • CS-W007594
    • EBC-613058
    • NSC-155333
    • s10329
    • 1551-90-2
    • DS-18474
    • SY041083
    • DB-008193
    • 2-Cyclohepten-1-one, 80%, technical grade
    • C3180
    • NS00023604
    • EN300-50593
    • 121C660
    • F208633
    • 1121-66-0

  • Applications

    2-Cyclohepten-1-one (CAS 1121-66-0) is used primarily as a synthetic intermediate and building block in organic synthesis, owing to its α,β-unsaturated enone on a cycloheptene ring, which enables Michael-type additions and sequence-building routes. In industry, it is commonly employed as a starting material for the preparation of specialty chemicals and intermediates. In perfumery and personal care, it may function as a fragrance intermediate or component, contributing to odor profiles and formulation. It is also evaluated as a precursor for pharmaceutical and agrochemical syntheses, and can serve in certain polymer, coatings, or plastics applications under appropriate conditions and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 655.15
    methanol 707.58
    isopropanol 528.56
    water 2.66
    ethyl acetate 594.55
    n-propanol 545.87
    acetone 1038.92
    n-butanol 420.15
    acetonitrile 1163.77
    DMF 1317.36
    toluene 270.85
    isobutanol 385.67
    1,4-dioxane 1130.9
    methyl acetate 641.87
    THF 983.48
    2-butanone 710.71
    n-pentanol 327.96
    sec-butanol 442.68
    n-hexane 97.78
    ethylene glycol 160.44
    NMP 1134.64
    cyclohexane 140.73
    DMSO 1452.11
    n-butyl acetate 349.01
    n-octanol 201.21
    chloroform 2731.37
    n-propyl acetate 359.57
    acetic acid 1185.66
    dichloromethane 2061.09
    cyclohexanone 941.16
    propylene glycol 228.21
    isopropyl acetate 276.69
    DMAc 625.46
    2-ethoxyethanol 332.36
    isopentanol 334.98
    n-heptane 52.3
    ethyl formate 349.88
    1,2-dichloroethane 1005.97
    n-hexanol 309.1
    2-methoxyethanol 562.0
    isobutyl acetate 194.15
    tetrachloromethane 291.73
    n-pentyl acetate 270.92
    transcutol 1993.03
    n-heptanol 162.35
    ethylbenzene 154.89
    MIBK 237.16
    2-propoxyethanol 410.97
    tert-butanol 482.8
    MTBE 316.56
    2-butoxyethanol 291.38
    propionic acid 843.84
    o-xylene 159.96
    formic acid 320.54
    diethyl ether 500.84
    m-xylene 156.49
    p-xylene 226.96
    chlorobenzene 651.3
    dimethyl carbonate 186.6
    n-octane 24.26
    formamide 510.67
    cyclopentanone 1091.25
    2-pentanone 482.71
    anisole 325.19
    cyclopentyl methyl ether 429.2
    gamma-butyrolactone 1263.96
    1-methoxy-2-propanol 462.3
    pyridine 1518.45
    3-pentanone 392.26
    furfural 965.72
    n-dodecane 20.51
    diethylene glycol 333.86
    diisopropyl ether 117.16
    tert-amyl alcohol 376.36
    acetylacetone 555.01
    n-hexadecane 22.92
    acetophenone 311.3
    methyl propionate 447.21
    isopentyl acetate 267.23
    trichloroethylene 2076.29
    n-nonanol 165.63
    cyclohexanol 402.9
    benzyl alcohol 294.45
    2-ethylhexanol 173.05
    isooctanol 136.6
    dipropyl ether 214.13
    1,2-dichlorobenzene 500.23
    ethyl lactate 150.11
    propylene carbonate 571.06
    n-methylformamide 726.99
    2-pentanol 288.26
    n-pentane 71.02
    1-propoxy-2-propanol 314.05
    1-methoxy-2-propyl acetate 283.23
    2-(2-methoxypropoxy) propanol 328.47
    mesitylene 100.72
    ε-caprolactone 751.99
    p-cymene 82.43
    epichlorohydrin 1016.2
    1,1,1-trichloroethane 920.79
    2-aminoethanol 339.77
    morpholine-4-carbaldehyde 843.96
    sulfolane 1281.21
    2,2,4-trimethylpentane 32.74
    2-methyltetrahydrofuran 785.3
    n-hexyl acetate 407.36
    isooctane 26.71
    2-(2-butoxyethoxy)ethanol 491.73
    sec-butyl acetate 202.17
    tert-butyl acetate 252.07
    decalin 54.05
    glycerin 294.44
    diglyme 796.47
    acrylic acid 793.21
    isopropyl myristate 138.13
    n-butyric acid 745.23
    acetyl acetate 375.15
    di(2-ethylhexyl) phthalate 140.31
    ethyl propionate 285.9
    nitromethane 1624.58
    1,2-diethoxyethane 489.8
    benzonitrile 600.33
    trioctyl phosphate 97.47
    1-bromopropane 568.92
    gamma-valerolactone 1028.85
    n-decanol 119.87
    triethyl phosphate 111.1
    4-methyl-2-pentanol 151.97
    propionitrile 733.81
    vinylene carbonate 591.07
    1,1,2-trichlorotrifluoroethane 730.86
    DMS 316.46
    cumene 101.08
    2-octanol 128.55
    2-hexanone 382.85
    octyl acetate 185.5
    limonene 123.51
    1,2-dimethoxyethane 565.42
    ethyl orthosilicate 109.76
    tributyl phosphate 127.16
    diacetone alcohol 303.06
    N,N-dimethylaniline 194.59
    acrylonitrile 1001.63
    aniline 485.53
    1,3-propanediol 365.2
    bromobenzene 658.68
    dibromomethane 1327.78
    1,1,2,2-tetrachloroethane 1585.6
    2-methyl-cyclohexyl acetate 177.38
    tetrabutyl urea 153.92
    diisobutyl methanol 106.07
    2-phenylethanol 260.87
    styrene 267.86
    dioctyl adipate 205.99
    dimethyl sulfate 337.34
    ethyl butyrate 244.87
    methyl lactate 220.89
    butyl lactate 214.75
    diethyl carbonate 177.76
    propanediol butyl ether 328.35
    triethyl orthoformate 164.22
    p-tert-butyltoluene 74.49
    methyl 4-tert-butylbenzoate 251.14
    morpholine 1165.16
    tert-butylamine 305.66
    n-dodecanol 90.84
    dimethoxymethane 393.89
    ethylene carbonate 443.72
    cyrene 237.75
    2-ethoxyethyl acetate 359.79
    2-ethylhexyl acetate 199.17
    1,2,4-trichlorobenzene 552.01
    4-methylpyridine 985.59
    dibutyl ether 259.93
    2,6-dimethyl-4-heptanol 106.07
    DEF 552.54
    dimethyl isosorbide 416.52
    tetrachloroethylene 1017.96
    eugenol 275.48
    triacetin 382.48
    span 80 321.45
    1,4-butanediol 161.99
    1,1-dichloroethane 1129.11
    2-methyl-1-pentanol 257.52
    methyl formate 438.79
    2-methyl-1-butanol 327.29
    n-decane 34.28
    butyronitrile 568.09
    3,7-dimethyl-1-octanol 177.01
    1-chlorooctane 144.65
    1-chlorotetradecane 51.98
    n-nonane 35.34
    undecane 25.53
    tert-butylcyclohexane 45.8
    cyclooctane 34.46
    cyclopentanol 525.17
    tetrahydropyran 984.11
    tert-amyl methyl ether 210.98
    2,5,8-trioxanonane 561.27
    1-hexene 297.49
    2-isopropoxyethanol 244.17
    2,2,2-trifluoroethanol 326.23
    methyl butyrate 403.02

    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