1-Chloroheptane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    629-06-1

    Molecular formula
    C7H15Cl

    SMILES
    CCCCCCCCl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 55.51%
    Fatty 47.37%
    Sweet 45.73%
    Citrus 41.59%
    Oily 41.07%
    Fresh 40.46%
    Floral 39.29%
    Musty 31.47%
    Cheesy 31.45%
    Clean 31.06%

     

    Flavor
    Fishy 32.24%
    Alkane 31.71%
    Ammoniacal 29.06%
    Fatty 28.66%
    Waxy 27.05%
    Meaty 25.29%
    Ammonia 24.28%
    Skunky 23.94%
    Sulfurous 23.33%
    Fat 23.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.05 (weak base)

    Molecular weight
    134.65 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    160°C

    Flash point

    • 51.91 ˚C est.

  • Synonyms

    • 1-CHLOROHEPTANE
    • 629-06-1
    • Heptyl chloride
    • Heptane, 1-chloro-
    • n-Heptyl chloride
    • 1-chloro-heptane
    • UNII-2F3Z1E37X5
    • 2F3Z1E37X5
    • EINECS 211-070-9
    • DTXSID4060864
    • nHeptyl Chloride
    • Heptane, 1chloro
    • normalHeptyl chloride
    • MFCD00001021
    • normal-Heptyl chloride
    • 1-Chloroheptane, 99%
    • SCHEMBL44335
    • CHEMBL1797136
    • DTXCID9043566
    • STL280514
    • AKOS000118768
    • DB-021161
    • CS-0204709
    • NS00035217
    • EN300-19404
    • Q15726086
    • 211-070-9

  • Applications

    1-Chloroheptane (CAS 629-06-1) is primarily used as a reactive intermediate and solvent in industrial chemical synthesis. It serves as a building block to introduce long-chain alkyl groups in the preparation of specialty chemicals such as long-chain surfactants and lubricants, and can function as a solvent for coatings resins and ink formulations. It is also employed in polymer and adhesive formulation contexts as a processing aid or precursor to other additives, and may be used in industrial cleaning formulations where nonpolar solvents are required. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5790.24
    methanol 3869.05
    isopropanol 5959.75
    water 0.22
    ethyl acetate 6576.27
    n-propanol 6004.29
    acetone 13739.53
    n-butanol 6856.04
    acetonitrile 5235.82
    DMF 5206.04
    toluene 4384.45
    isobutanol 4569.88
    1,4-dioxane 8745.09
    methyl acetate 4139.52
    THF 15641.33
    2-butanone 8418.16
    n-pentanol 3671.33
    sec-butanol 5054.41
    n-hexane 4600.69
    ethylene glycol 404.64
    NMP 4399.42
    cyclohexane 7199.47
    DMSO 8015.65
    n-butyl acetate 10667.85
    n-octanol 1818.48
    chloroform 12174.58
    n-propyl acetate 5005.58
    acetic acid 3104.79
    dichloromethane 10740.63
    cyclohexanone 12961.91
    propylene glycol 770.7
    isopropyl acetate 3862.74
    DMAc 2545.77
    2-ethoxyethanol 2617.7
    isopentanol 5075.49
    n-heptane 4549.76
    ethyl formate 3296.46
    1,2-dichloroethane 8056.48
    n-hexanol 5578.55
    2-methoxyethanol 4380.02
    isobutyl acetate 2663.6
    tetrachloromethane 4567.33
    n-pentyl acetate 3745.54
    transcutol 8012.87
    n-heptanol 2044.39
    ethylbenzene 1991.77
    MIBK 3716.04
    2-propoxyethanol 4804.56
    tert-butanol 6551.56
    MTBE 7025.04
    2-butoxyethanol 2428.82
    propionic acid 3001.86
    o-xylene 2002.85
    formic acid 389.28
    diethyl ether 10873.19
    m-xylene 2227.89
    p-xylene 2545.81
    chlorobenzene 4400.92
    dimethyl carbonate 836.92
    n-octane 965.24
    formamide 715.54
    cyclopentanone 11121.73
    2-pentanone 9025.58
    anisole 2403.75
    cyclopentyl methyl ether 8869.18
    gamma-butyrolactone 7282.18
    1-methoxy-2-propanol 3343.14
    pyridine 8687.86
    3-pentanone 5211.52
    furfural 4873.25
    n-dodecane 308.38
    diethylene glycol 1666.18
    diisopropyl ether 2866.79
    tert-amyl alcohol 4542.96
    acetylacetone 5092.92
    n-hexadecane 379.31
    acetophenone 2092.13
    methyl propionate 3399.85
    isopentyl acetate 6528.59
    trichloroethylene 11667.34
    n-nonanol 1437.07
    cyclohexanol 6758.6
    benzyl alcohol 1736.72
    2-ethylhexanol 4330.25
    isooctanol 1653.41
    dipropyl ether 10090.06
    1,2-dichlorobenzene 3259.41
    ethyl lactate 831.77
    propylene carbonate 3793.94
    n-methylformamide 2479.12
    2-pentanol 4815.83
    n-pentane 3611.02
    1-propoxy-2-propanol 5212.82
    1-methoxy-2-propyl acetate 3441.62
    2-(2-methoxypropoxy) propanol 1252.18
    mesitylene 1475.41
    ε-caprolactone 7103.66
    p-cymene 1878.69
    epichlorohydrin 7358.87
    1,1,1-trichloroethane 10182.38
    2-aminoethanol 1157.37
    morpholine-4-carbaldehyde 3825.42
    sulfolane 6929.5
    2,2,4-trimethylpentane 809.74
    2-methyltetrahydrofuran 13715.78
    n-hexyl acetate 3517.67
    isooctane 672.75
    2-(2-butoxyethoxy)ethanol 2143.65
    sec-butyl acetate 2689.61
    tert-butyl acetate 3724.0
    decalin 1296.79
    glycerin 698.75
    diglyme 4960.09
    acrylic acid 1884.75
    isopropyl myristate 1168.36
    n-butyric acid 6449.68
    acetyl acetate 2620.71
    di(2-ethylhexyl) phthalate 660.65
    ethyl propionate 3173.42
    nitromethane 4292.32
    1,2-diethoxyethane 7219.98
    benzonitrile 3560.85
    trioctyl phosphate 609.06
    1-bromopropane 9269.32
    gamma-valerolactone 8713.79
    n-decanol 947.28
    triethyl phosphate 1207.91
    4-methyl-2-pentanol 1965.59
    propionitrile 5722.05
    vinylene carbonate 2874.66
    1,1,2-trichlorotrifluoroethane 3737.82
    DMS 1361.27
    cumene 1081.89
    2-octanol 1537.02
    2-hexanone 6420.28
    octyl acetate 1362.85
    limonene 4115.38
    1,2-dimethoxyethane 6607.09
    ethyl orthosilicate 1432.66
    tributyl phosphate 890.33
    diacetone alcohol 2766.25
    N,N-dimethylaniline 1392.8
    acrylonitrile 4729.94
    aniline 3596.18
    1,3-propanediol 2223.48
    bromobenzene 5109.7
    dibromomethane 9799.83
    1,1,2,2-tetrachloroethane 8963.89
    2-methyl-cyclohexyl acetate 2456.71
    tetrabutyl urea 1216.18
    diisobutyl methanol 2336.95
    2-phenylethanol 2149.11
    styrene 2834.6
    dioctyl adipate 1356.26
    dimethyl sulfate 1182.48
    ethyl butyrate 5803.13
    methyl lactate 795.37
    butyl lactate 1708.37
    diethyl carbonate 2299.8
    propanediol butyl ether 1523.33
    triethyl orthoformate 3251.42
    p-tert-butyltoluene 1703.66
    methyl 4-tert-butylbenzoate 1300.92
    morpholine 10569.98
    tert-butylamine 5248.52
    n-dodecanol 697.56
    dimethoxymethane 3844.72
    ethylene carbonate 3013.78
    cyrene 964.48
    2-ethoxyethyl acetate 2790.78
    2-ethylhexyl acetate 5599.24
    1,2,4-trichlorobenzene 3136.38
    4-methylpyridine 8244.15
    dibutyl ether 5800.81
    2,6-dimethyl-4-heptanol 2336.95
    DEF 5587.37
    dimethyl isosorbide 2346.69
    tetrachloroethylene 7365.11
    eugenol 1131.47
    triacetin 1632.81
    span 80 1568.94
    1,4-butanediol 782.2
    1,1-dichloroethane 9815.02
    2-methyl-1-pentanol 2703.57
    methyl formate 1759.87
    2-methyl-1-butanol 4350.25
    n-decane 761.5
    butyronitrile 8412.97
    3,7-dimethyl-1-octanol 1896.5
    1-chlorooctane 2079.4
    1-chlorotetradecane 581.63
    n-nonane 993.89
    undecane 453.37
    tert-butylcyclohexane 1125.84
    cyclooctane 1940.68
    cyclopentanol 6343.72
    tetrahydropyran 17204.17
    tert-amyl methyl ether 4071.82
    2,5,8-trioxanonane 2317.35
    1-hexene 8314.71
    2-isopropoxyethanol 1931.74
    2,2,2-trifluoroethanol 707.68
    methyl butyrate 5100.73

    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