Isoquinoline

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    119-65-3

    Molecular formula
    C9H7N

    SMILES
    C1=CC=C2C=NC=CC2=C1

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Sweet 81.08%
    Animal 57.72%
    Tobacco 54.58%
    Herbal 52.56%
    Musty 50.58%
    Earthy 48.22%
    Pungent 43.41%
    Medicinal 39.85%
    Leathery 39.84%
    Anisic 39.68%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    129.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 26.47 °C
    • 25.5 - 26 °C

    Boiling point

    • 243.2 °C
    • 242.00 to 243.00 °C. @ 760.00 mm Hg

    Flash point est.
    96.88 ˚C

    Solubility expt.

    • 4520 mg/L (at 25 °C)
    • 4.52 mg/mL at 25 °C
    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • ISOQUINOLINE
    • 119-65-3
    • 2-Benzazine
    • 2-Azanaphthalene
    • Benzo[c]pyridine
    • Isochinolin
    • beta-Quinoline
    • Benzo(c)pyridine
    • 2-Benzanine
    • 3,4-Benzopyridine
    • Isoquinoline-5,8-D2
    • Isochinolin [Czech]
    • FEMA No. 2978
    • .beta.-Quinoline
    • NSC 3395
    • CCRIS 5752
    • EINECS 204-341-8
    • JGX76Y85M6
    • DTXSID2047644
    • CHEBI:16092
    • AI3-10035
    • NSC-3395
    • ISOQUINOLINE [MI]
    • ISOQUINOLINE [FHFI]
    • 2241982-85-2
    • DTXCID0027644
    • EC 204-341-8
    • ISQ
    • MFCD00006898
    • isoquinolin
    • UNII-JGX76Y85M6
    • betaQuinoline
    • 2Azanaphthalene
    • beta -quinoline
    • 2Benzazine
    • 2-Azanaphthalene; 2-Benzazine; Benzo[c]pyridine; Benzopyridine; NSC 3395; ss-Quinoline
    • 3,4Benzopyridine
    • Isoquinoline, tech
    • MFCD31699977
    • Isoquinoline, 97%
    • Isoquinoline (Standard)
    • 8-(1,4-diazepan-1-ylsulfonyl)isoquinoline
    • SCHEMBL9654
    • WLN: T66 CNJ
    • CHEMBL12315
    • SCHEMBL4543153
    • SCHEMBL6506458
    • SCHEMBL8569035
    • BDBM60921
    • FEMA 2978
    • Isoquinoline, analytical standard
    • NSC3395
    • BCP23537
    • BCP27363
    • HY-W012732R
    • Tox21_302503
    • BBL011362
    • STL146455
    • AKOS000119148
    • CS-W013448
    • DB04329
    • FI01236
    • HY-W012732
    • PS-5337
    • RTE3_000001
    • Isoquinoline, technical grade, 90-92%
    • NCGC00188120-01
    • NCGC00256872-01
    • CAS-119-65-3
    • SY246282
    • DB-003694
    • I0182
    • NS00010835
    • EN300-19121
    • PK04_181276
    • C06323
    • F52665
    • A804333
    • AC-907/25014235
    • AC-907/25014236
    • Q412316
    • F0001-0310
    • Z104472854
    • 204-341-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.01
    methanol 20.94
    isopropanol 36.8
    water 0.63
    ethyl acetate 110.4
    n-propanol 46.58
    acetone 115.42
    n-butanol 48.63
    acetonitrile 95.86
    DMF 167.75
    toluene 72.9
    isobutanol 42.33
    1,4-dioxane 400.78
    methyl acetate 104.1
    THF 292.79
    2-butanone 113.5
    n-pentanol 57.81
    sec-butanol 39.33
    n-hexane 21.35
    ethylene glycol 7.88
    NMP 168.37
    cyclohexane 16.64
    DMSO 254.53
    n-butyl acetate 159.56
    n-octanol 36.0
    chloroform 302.06
    n-propyl acetate 139.98
    acetic acid 67.62
    dichloromethane 369.21
    cyclohexanone 192.27
    propylene glycol 5.36
    isopropyl acetate 83.91
    DMAc 128.6
    2-ethoxyethanol 84.32
    isopentanol 53.77
    n-heptane 24.76
    ethyl formate 74.29
    1,2-dichloroethane 297.74
    n-hexanol 77.94
    2-methoxyethanol 83.13
    isobutyl acetate 104.12
    tetrachloromethane 73.2
    n-pentyl acetate 81.21
    transcutol 353.73
    n-heptanol 42.35
    ethylbenzene 63.12
    MIBK 87.68
    2-propoxyethanol 129.42
    tert-butanol 58.72
    MTBE 74.24
    2-butoxyethanol 79.74
    propionic acid 52.43
    o-xylene 55.27
    formic acid 16.88
    diethyl ether 116.87
    m-xylene 60.45
    p-xylene 81.14
    chlorobenzene 106.19
    dimethyl carbonate 50.31
    n-octane 12.5
    formamide 41.61
    cyclopentanone 230.31
    2-pentanone 104.79
    anisole 122.73
    cyclopentyl methyl ether 147.86
    gamma-butyrolactone 256.14
    1-methoxy-2-propanol 63.72
    pyridine 232.17
    3-pentanone 93.17
    furfural 219.19
    n-dodecane 8.45
    diethylene glycol 72.45
    diisopropyl ether 42.0
    tert-amyl alcohol 51.1
    acetylacetone 130.46
    n-hexadecane 9.77
    acetophenone 109.37
    methyl propionate 79.32
    isopentyl acetate 120.23
    trichloroethylene 430.42
    n-nonanol 37.23
    cyclohexanol 51.88
    benzyl alcohol 66.37
    2-ethylhexanol 60.17
    isooctanol 40.73
    dipropyl ether 112.8
    1,2-dichlorobenzene 101.52
    ethyl lactate 40.12
    propylene carbonate 130.81
    n-methylformamide 68.4
    2-pentanol 38.06
    n-pentane 13.11
    1-propoxy-2-propanol 91.61
    1-methoxy-2-propyl acetate 111.02
    2-(2-methoxypropoxy) propanol 78.67
    mesitylene 41.91
    ε-caprolactone 176.26
    p-cymene 43.6
    epichlorohydrin 370.64
    1,1,1-trichloroethane 211.56
    2-aminoethanol 19.35
    morpholine-4-carbaldehyde 245.53
    sulfolane 282.72
    2,2,4-trimethylpentane 9.31
    2-methyltetrahydrofuran 222.97
    n-hexyl acetate 85.63
    isooctane 8.9
    2-(2-butoxyethoxy)ethanol 106.96
    sec-butyl acetate 85.46
    tert-butyl acetate 89.8
    decalin 17.56
    glycerin 16.82
    diglyme 245.57
    acrylic acid 45.48
    isopropyl myristate 44.94
    n-butyric acid 86.99
    acetyl acetate 76.45
    di(2-ethylhexyl) phthalate 34.87
    ethyl propionate 102.08
    nitromethane 164.13
    1,2-diethoxyethane 175.97
    benzonitrile 103.27
    trioctyl phosphate 28.07
    1-bromopropane 144.14
    gamma-valerolactone 301.83
    n-decanol 30.75
    triethyl phosphate 52.42
    4-methyl-2-pentanol 33.2
    propionitrile 92.05
    vinylene carbonate 130.05
    1,1,2-trichlorotrifluoroethane 132.35
    DMS 85.03
    cumene 47.2
    2-octanol 30.24
    2-hexanone 135.21
    octyl acetate 49.64
    limonene 57.33
    1,2-dimethoxyethane 252.37
    ethyl orthosilicate 49.77
    tributyl phosphate 36.24
    diacetone alcohol 82.51
    N,N-dimethylaniline 84.82
    acrylonitrile 105.31
    aniline 70.24
    1,3-propanediol 37.06
    bromobenzene 118.54
    dibromomethane 237.88
    1,1,2,2-tetrachloroethane 276.88
    2-methyl-cyclohexyl acetate 80.04
    tetrabutyl urea 51.12
    diisobutyl methanol 42.26
    2-phenylethanol 78.77
    styrene 66.62
    dioctyl adipate 56.95
    dimethyl sulfate 87.31
    ethyl butyrate 116.0
    methyl lactate 30.34
    butyl lactate 48.32
    diethyl carbonate 72.66
    propanediol butyl ether 42.56
    triethyl orthoformate 68.42
    p-tert-butyltoluene 39.7
    methyl 4-tert-butylbenzoate 80.06
    morpholine 266.58
    tert-butylamine 42.69
    n-dodecanol 26.03
    dimethoxymethane 130.08
    ethylene carbonate 113.34
    cyrene 72.09
    2-ethoxyethyl acetate 114.17
    2-ethylhexyl acetate 104.88
    1,2,4-trichlorobenzene 115.54
    4-methylpyridine 192.32
    dibutyl ether 85.92
    2,6-dimethyl-4-heptanol 42.26
    DEF 128.93
    dimethyl isosorbide 167.01
    tetrachloroethylene 210.79
    eugenol 79.9
    triacetin 79.15
    span 80 58.37
    1,4-butanediol 20.63
    1,1-dichloroethane 187.58
    2-methyl-1-pentanol 57.4
    methyl formate 60.81
    2-methyl-1-butanol 47.5
    n-decane 13.78
    butyronitrile 90.78
    3,7-dimethyl-1-octanol 43.28
    1-chlorooctane 46.1
    1-chlorotetradecane 20.6
    n-nonane 13.41
    undecane 10.51
    tert-butylcyclohexane 19.22
    cyclooctane 9.2
    cyclopentanol 58.35
    tetrahydropyran 220.87
    tert-amyl methyl ether 60.56
    2,5,8-trioxanonane 154.65
    1-hexene 63.33
    2-isopropoxyethanol 75.96
    2,2,2-trifluoroethanol 39.11
    methyl butyrate 136.84

    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
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%