2-Heptenoic acid

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  • Identifiers

    CAS number
    18999-28-5

    Molecular formula
    C7H12O2

    SMILES
    CCCC/C=C/C(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fatty 87.38%
    Fruity 84.93%
    Cheesy 73.63%
    Green 69.03%
    Dairy 63.68%
    Waxy 58.65%
    Sour 56.32%
    Oily 48.23%
    Milky 42.62%
    Buttery 42.51%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 224.00 to 228.00 °C. @ 760.00 mm Hg

    Flash point est.
    99.5 ˚C

    Solubility expt.

    • Soluble in oils
    • Soluble (in ethanol)

  • Synonyms

    • 2-HEPTENOIC ACID
    • 18999-28-5
    • Hept-2-enoic acid
    • (E)-Hept-2-enoic acid
    • 10352-88-2
    • trans-2-Heptenoic acid
    • (E)-2-heptenoic acid
    • 2-Heptenoic acid, (2E)-
    • 2-Heptenoic acid, trans-
    • alpha-heptenoic acid
    • 2-Heptenoic acid, (E)-
    • 3-(n-butyl)acrylic acid
    • Hept-2-ensaeure
    • (2E)-hept-2-enoic acid
    • Hept-2t-ensaeure
    • EINECS 242-738-8
    • hept-2t-enoic acid
    • 1IB74EZ67V
    • alpha.beta-Heptensaeure
    • trans-Hept-2-ensaeure
    • trans-hept-2-enoic acid
    • C7:1, n-5 trans
    • EINECS 233-769-8
    • 7:1, n-5 trans
    • (2E)-2-Heptenoic acid
    • (1-hexenyl)carboxylic acid
    • NSC-244947
    • E-2-HEPTENOIC ACID
    • trans-acide heptene-2-oique
    • alpha-Hexylen-alpha-carbonsaeure
    • FEMA NO. 3920
    • 2-Heptenoic acid (contains 3-Heptenoic acid)
    • CHEBI:36152
    • CHEBI:38364
    • YURNCBVQZBJDAJ-AATRIKPKSA-
    • KZ9306E71N
    • C7:1n-5
    • (E)-2-HEPTENOIC ACID [FHFI]
    • NSC 244947
    • C7:1, n-5
    • 7:1, n-5
    • MFCD00014019
    • UNII-1IB74EZ67V
    • 2-Heptenic acid
    • (E)-heptenoic acid
    • (E)-Hept-2-enoicacid
    • 3-BUTYLACRYLIC ACID
    • Hex-1-ene-1-carboxylic acid
    • SCHEMBL193588
    • UNII-KZ9306E71N
    • (+/-)-(E)-heptenoic acid
    • CHEMBL5273229
    • DTXSID80893639
    • LMFA01030012
    • NSC244947
    • AKOS004908024
    • AKOS025311177
    • HY-W107869
    • AS-75723
    • CS-0161412
    • H0426
    • NS00086948
    • EN300-1826913
    • Q27117581
    • 233-769-8
    • 242-738-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 444.82
    methanol 798.91
    isopropanol 185.01
    water 4.91
    ethyl acetate 161.02
    n-propanol 290.41
    acetone 379.25
    n-butanol 236.7
    acetonitrile 65.46
    DMF 1091.31
    toluene 41.96
    isobutanol 213.99
    1,4-dioxane 128.11
    methyl acetate 125.93
    THF 706.19
    2-butanone 233.85
    n-pentanol 181.01
    sec-butanol 178.28
    n-hexane 23.19
    ethylene glycol 279.3
    NMP 1674.66
    cyclohexane 10.21
    DMSO 2233.82
    n-butyl acetate 278.79
    n-octanol 94.0
    chloroform 70.99
    n-propyl acetate 156.71
    acetic acid 509.45
    dichloromethane 86.83
    cyclohexanone 468.14
    propylene glycol 321.2
    isopropyl acetate 135.48
    DMAc 655.19
    2-ethoxyethanol 331.71
    isopentanol 256.62
    n-heptane 10.98
    ethyl formate 139.96
    1,2-dichloroethane 135.77
    n-hexanol 264.39
    2-methoxyethanol 685.62
    isobutyl acetate 102.26
    tetrachloromethane 31.8
    n-pentyl acetate 126.05
    transcutol 1245.94
    n-heptanol 104.06
    ethylbenzene 40.11
    MIBK 206.65
    2-propoxyethanol 477.35
    tert-butanol 338.5
    MTBE 141.16
    2-butoxyethanol 234.3
    propionic acid 363.08
    o-xylene 53.78
    formic acid 333.31
    diethyl ether 59.92
    m-xylene 61.79
    p-xylene 49.3
    chlorobenzene 74.16
    dimethyl carbonate 120.72
    n-octane 3.7
    formamide 431.45
    cyclopentanone 917.92
    2-pentanone 270.42
    anisole 115.45
    cyclopentyl methyl ether 361.98
    gamma-butyrolactone 972.08
    1-methoxy-2-propanol 520.87
    pyridine 143.14
    3-pentanone 146.25
    furfural 605.49
    n-dodecane 2.92
    diethylene glycol 426.48
    diisopropyl ether 44.23
    tert-amyl alcohol 341.66
    acetylacetone 350.6
    n-hexadecane 3.31
    acetophenone 173.91
    methyl propionate 213.72
    isopentyl acetate 257.54
    trichloroethylene 269.0
    n-nonanol 77.12
    cyclohexanol 216.23
    benzyl alcohol 143.78
    2-ethylhexanol 146.32
    isooctanol 84.38
    dipropyl ether 83.72
    1,2-dichlorobenzene 110.54
    ethyl lactate 136.05
    propylene carbonate 421.73
    n-methylformamide 552.39
    2-pentanol 145.24
    n-pentane 9.25
    1-propoxy-2-propanol 343.89
    1-methoxy-2-propyl acetate 301.4
    2-(2-methoxypropoxy) propanol 266.82
    mesitylene 52.16
    ε-caprolactone 435.6
    p-cymene 41.34
    epichlorohydrin 583.56
    1,1,1-trichloroethane 96.51
    2-aminoethanol 462.57
    morpholine-4-carbaldehyde 677.13
    sulfolane 1937.18
    2,2,4-trimethylpentane 14.25
    2-methyltetrahydrofuran 465.29
    n-hexyl acetate 201.14
    isooctane 12.73
    2-(2-butoxyethoxy)ethanol 405.91
    sec-butyl acetate 108.84
    tert-butyl acetate 238.78
    decalin 16.48
    glycerin 467.19
    diglyme 518.03
    acrylic acid 349.72
    isopropyl myristate 60.16
    n-butyric acid 417.41
    acetyl acetate 112.81
    di(2-ethylhexyl) phthalate 91.74
    ethyl propionate 142.68
    nitromethane 592.25
    1,2-diethoxyethane 162.56
    benzonitrile 116.41
    trioctyl phosphate 70.6
    1-bromopropane 46.31
    gamma-valerolactone 810.98
    n-decanol 56.64
    triethyl phosphate 77.92
    4-methyl-2-pentanol 123.99
    propionitrile 81.55
    vinylene carbonate 255.37
    1,1,2-trichlorotrifluoroethane 591.05
    DMS 169.62
    cumene 42.29
    2-octanol 64.78
    2-hexanone 202.11
    octyl acetate 90.69
    limonene 70.44
    1,2-dimethoxyethane 323.67
    ethyl orthosilicate 74.77
    tributyl phosphate 91.27
    diacetone alcohol 481.78
    N,N-dimethylaniline 114.33
    acrylonitrile 137.52
    aniline 125.67
    1,3-propanediol 436.66
    bromobenzene 61.58
    dibromomethane 59.83
    1,1,2,2-tetrachloroethane 261.45
    2-methyl-cyclohexyl acetate 142.49
    tetrabutyl urea 128.89
    diisobutyl methanol 83.92
    2-phenylethanol 174.72
    styrene 39.38
    dioctyl adipate 118.07
    dimethyl sulfate 382.71
    ethyl butyrate 148.79
    methyl lactate 245.38
    butyl lactate 190.62
    diethyl carbonate 86.32
    propanediol butyl ether 364.93
    triethyl orthoformate 101.52
    p-tert-butyltoluene 44.48
    methyl 4-tert-butylbenzoate 176.78
    morpholine 267.59
    tert-butylamine 170.92
    n-dodecanol 39.47
    dimethoxymethane 347.05
    ethylene carbonate 202.18
    cyrene 278.36
    2-ethoxyethyl acetate 197.41
    2-ethylhexyl acetate 180.03
    1,2,4-trichlorobenzene 153.02
    4-methylpyridine 175.51
    dibutyl ether 62.18
    2,6-dimethyl-4-heptanol 83.92
    DEF 343.03
    dimethyl isosorbide 432.28
    tetrachloroethylene 193.05
    eugenol 194.31
    triacetin 179.46
    span 80 245.13
    1,4-butanediol 191.26
    1,1-dichloroethane 68.96
    2-methyl-1-pentanol 205.42
    methyl formate 302.57
    2-methyl-1-butanol 246.04
    n-decane 4.65
    butyronitrile 94.83
    3,7-dimethyl-1-octanol 116.71
    1-chlorooctane 31.32
    1-chlorotetradecane 11.22
    n-nonane 4.47
    undecane 3.6
    tert-butylcyclohexane 20.45
    cyclooctane 5.54
    cyclopentanol 385.29
    tetrahydropyran 129.59
    tert-amyl methyl ether 153.23
    2,5,8-trioxanonane 365.45
    1-hexene 61.89
    2-isopropoxyethanol 221.32
    2,2,2-trifluoroethanol 161.17
    methyl butyrate 213.04

    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