NY 008

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  • Identifiers

    CAS number
    137786-58-4

    Molecular formula
    C16H22O2

    SMILES
    CCCCCCCCC1C2=CC=CC=C2C(=O)O1

    Safety labels

  • Odor profile

    Fragrance
    Floral 50.85%
    Fatty 47.23%
    Waxy 42.97%
    Sweet 41.99%
    Herbal 39.38%
    Lactonic 38.33%
    Oily 37.47%
    Balsamic 37.06%
    Coconut 36.67%
    Jasmin 35.59%

     

    Flavor
    Herbal 49.94%
    Waxy 30.06%
    Oily 29.43%
    Celery 28.84%
    Fatty 26.64%
    Woody 26.01%
    Jasmin 23.9%
    Balsam 23.3%
    Warm 22.82%
    Fresh 22.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.26 (neutral)

    Molecular weight
    246.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    368°C

    Flash point

    • 161.42 ˚C est.

  • Synonyms

    • NY-008
    • octylphthalide
    • 137786-58-4
    • NY 008
    • EL7M4232GJ
    • RefChem:166988
    • 3-Octylphthalide
    • 3-octyl-3H-2-benzofuran-1-one
    • UNII-EL7M4232GJ
    • SCHEMBL1463773
    • DTXSID70929895
    • 3-Octyl-2-benzofuran-1(3H)-one
    • 1(3H)-Isobenzofuranone, 3-octyl-
    • NS00123638
    • Q27277228
    • 137786-58-4

  • Applications

    NY 008, CAS 137786-58-4, is used primarily as an intermediate in organic synthesis and may function as a solvent or co-solvent in a range of formulations; it can also be employed as a plasticizer or processing aid for certain polymers and plastics, supporting manufacturing and altering material properties; in coatings, inks, and cleaning formulations, NY 008 may serve as a solvent component or processing additive; depending on the formulation and local regulations, it may be considered as an additive for adhesives and coating systems to improve processability and stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3232.07
    methanol 3301.73
    isopropanol 2227.17
    water 0.12
    ethyl acetate 3833.67
    n-propanol 2750.31
    acetone 4573.73
    n-butanol 2223.28
    acetonitrile 3367.37
    DMF 4984.29
    toluene 1504.52
    isobutanol 1936.33
    1,4-dioxane 3729.15
    methyl acetate 2953.11
    THF 4121.43
    2-butanone 3458.27
    n-pentanol 1238.14
    sec-butanol 1849.45
    n-hexane 110.85
    ethylene glycol 209.83
    NMP 2735.9
    cyclohexane 269.42
    DMSO 2553.12
    n-butyl acetate 2248.78
    n-octanol 389.82
    chloroform 6707.22
    n-propyl acetate 1980.97
    acetic acid 1264.36
    dichloromethane 7594.39
    cyclohexanone 4334.82
    propylene glycol 431.72
    isopropyl acetate 2454.48
    DMAc 2829.77
    2-ethoxyethanol 1619.54
    isopentanol 1664.2
    n-heptane 39.76
    ethyl formate 1712.56
    1,2-dichloroethane 5808.86
    n-hexanol 1072.44
    2-methoxyethanol 2759.21
    isobutyl acetate 1305.49
    tetrachloromethane 632.77
    n-pentyl acetate 1344.05
    transcutol 5570.74
    n-heptanol 386.4
    ethylbenzene 590.94
    MIBK 1484.76
    2-propoxyethanol 1855.29
    tert-butanol 1597.2
    MTBE 2392.39
    2-butoxyethanol 938.83
    propionic acid 1410.69
    o-xylene 610.62
    formic acid 299.31
    diethyl ether 3355.7
    m-xylene 722.77
    p-xylene 719.98
    chlorobenzene 2432.88
    dimethyl carbonate 1068.11
    n-octane 27.44
    formamide 832.39
    cyclopentanone 3848.13
    2-pentanone 3145.88
    anisole 1394.58
    cyclopentyl methyl ether 2168.05
    gamma-butyrolactone 3520.54
    1-methoxy-2-propanol 2028.42
    pyridine 4188.75
    3-pentanone 2027.24
    furfural 2360.71
    n-dodecane 29.72
    diethylene glycol 956.37
    diisopropyl ether 704.19
    tert-amyl alcohol 1267.48
    acetylacetone 2699.83
    n-hexadecane 36.08
    acetophenone 1194.74
    methyl propionate 2666.68
    isopentyl acetate 1916.72
    trichloroethylene 7841.59
    n-nonanol 346.62
    cyclohexanol 1590.19
    benzyl alcohol 975.08
    2-ethylhexanol 534.59
    isooctanol 347.71
    dipropyl ether 708.77
    1,2-dichlorobenzene 1917.86
    ethyl lactate 555.65
    propylene carbonate 2124.97
    n-methylformamide 2472.51
    2-pentanol 1330.58
    n-pentane 117.28
    1-propoxy-2-propanol 1255.64
    1-methoxy-2-propyl acetate 1760.94
    2-(2-methoxypropoxy) propanol 716.56
    mesitylene 407.22
    ε-caprolactone 3352.27
    p-cymene 233.51
    epichlorohydrin 5231.32
    1,1,1-trichloroethane 3359.62
    2-aminoethanol 823.1
    morpholine-4-carbaldehyde 2560.25
    sulfolane 2737.8
    2,2,4-trimethylpentane 66.82
    2-methyltetrahydrofuran 3486.57
    n-hexyl acetate 1559.52
    isooctane 55.22
    2-(2-butoxyethoxy)ethanol 1234.53
    sec-butyl acetate 1357.33
    tert-butyl acetate 1821.06
    decalin 112.52
    glycerin 435.04
    diglyme 2427.5
    acrylic acid 976.12
    isopropyl myristate 436.66
    n-butyric acid 2511.67
    acetyl acetate 1568.18
    di(2-ethylhexyl) phthalate 340.59
    ethyl propionate 1555.49
    nitromethane 3021.67
    1,2-diethoxyethane 2576.26
    benzonitrile 1708.25
    trioctyl phosphate 241.25
    1-bromopropane 3077.42
    gamma-valerolactone 4247.94
    n-decanol 244.29
    triethyl phosphate 357.72
    4-methyl-2-pentanol 626.09
    propionitrile 2915.06
    vinylene carbonate 1828.75
    1,1,2-trichlorotrifluoroethane 1986.21
    DMS 1326.52
    cumene 329.2
    2-octanol 317.82
    2-hexanone 1665.32
    octyl acetate 564.63
    limonene 369.81
    1,2-dimethoxyethane 2678.83
    ethyl orthosilicate 346.38
    tributyl phosphate 361.51
    diacetone alcohol 1328.59
    N,N-dimethylaniline 675.24
    acrylonitrile 3038.4
    aniline 1742.43
    1,3-propanediol 1266.67
    bromobenzene 2735.9
    dibromomethane 4660.4
    1,1,2,2-tetrachloroethane 5977.46
    2-methyl-cyclohexyl acetate 666.98
    tetrabutyl urea 486.96
    diisobutyl methanol 282.76
    2-phenylethanol 883.7
    styrene 937.99
    dioctyl adipate 542.29
    dimethyl sulfate 1076.69
    ethyl butyrate 1092.08
    methyl lactate 809.75
    butyl lactate 763.56
    diethyl carbonate 678.71
    propanediol butyl ether 751.39
    triethyl orthoformate 629.74
    p-tert-butyltoluene 209.23
    methyl 4-tert-butylbenzoate 676.03
    morpholine 5256.09
    tert-butylamine 1009.42
    n-dodecanol 181.37
    dimethoxymethane 3009.78
    ethylene carbonate 1852.25
    cyrene 568.47
    2-ethoxyethyl acetate 1897.69
    2-ethylhexyl acetate 1373.31
    1,2,4-trichlorobenzene 1975.34
    4-methylpyridine 4134.01
    dibutyl ether 893.27
    2,6-dimethyl-4-heptanol 282.76
    DEF 3505.27
    dimethyl isosorbide 1166.2
    tetrachloroethylene 3311.09
    eugenol 683.24
    triacetin 1006.51
    span 80 579.15
    1,4-butanediol 476.53
    1,1-dichloroethane 5047.29
    2-methyl-1-pentanol 1063.9
    methyl formate 1430.19
    2-methyl-1-butanol 1698.24
    n-decane 48.99
    butyronitrile 3126.31
    3,7-dimethyl-1-octanol 474.41
    1-chlorooctane 374.22
    1-chlorotetradecane 131.23
    n-nonane 44.62
    undecane 36.57
    tert-butylcyclohexane 85.98
    cyclooctane 65.85
    cyclopentanol 1545.93
    tetrahydropyran 4499.61
    tert-amyl methyl ether 1265.88
    2,5,8-trioxanonane 1317.43
    1-hexene 735.97
    2-isopropoxyethanol 1134.01
    2,2,2-trifluoroethanol 411.48
    methyl butyrate 2115.36

    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