2-Allylphenol

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  • Identifiers

    CAS number
    1745-81-9

    Molecular formula
    C9H10O

    SMILES
    C=CCC1=CC=CC=C1O

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Spicy 72.05%
    Phenolic 70.61%
    Medicinal 51.8%
    Herbal 51.68%
    Smoky 50.16%
    Sweet 40.56%
    Woody 36.84%
    Musty 32.84%
    Burnt 32.84%
    Meaty 29.38%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -6 °C

    Boiling point

    • 220 °C

    Flash point est.
    97.02 ˚C

  • Synonyms

    • 2-ALLYLPHENOL
    • 1745-81-9
    • o-Allylphenol
    • Phenol, o-allyl-
    • 2-(prop-2-en-1-yl)phenol
    • Phenol, 2-(2-propenyl)-
    • 2-prop-2-enylphenol
    • Phenol, 2-(2-propen-1-yl)-
    • 2-(2-Propenyl)phenol
    • Phenol, (2-propenyl)-
    • 2-allyl-phenol
    • CHEBI:39826
    • 2-prop-2-en-1-ylphenol
    • NSC 1538
    • EINECS 217-119-0
    • BRN 0742121
    • YINGUO
    • O04F145ZJZ
    • DTXSID3022164
    • AI3-17107
    • NSC-1538
    • MFCD00002250
    • O-(2-PROPENYL)PHENOL
    • DTXCID802164
    • 2-(PROP-2-ENYL)PHENOL
    • 1-ALLYL,2-HYDROXY-BENZENE
    • 4-06-00-03807 (Beilstein Handbook Reference)
    • 26761-75-1
    • ALPRENOLOL HYDROCHLORIDE IMPURITY B [EP IMPURITY]
    • (2-Propenyl)phenol
    • ALPRENOLOL HYDROCHLORIDE IMPURITY B (EP IMPURITY)
    • allylphenol
    • UNII-O04F145ZJZ
    • oAllylphenol
    • UNII-T5721BH5Z4
    • Allyl Phenol
    • Phenol, oallyl
    • 2-allyl phenol
    • ortho-allyl phenol
    • phenol, 2-allyl-
    • 2(2Propenyl)phenol
    • Phenol, 2(2propenyl)
    • 2-Allylphenol, 98%
    • 2-(2-propenyl)-pheno
    • 2-(2-Propenyl)-phenol
    • Phenol, 2(2propen1yl)
    • Phenol, 2-(propenyl)-
    • 3-(2-hydroxyphenyl)propene
    • WLN: QR B2U1
    • SCHEMBL160157
    • CHEMBL1229950
    • NSC1538
    • T5721BH5Z4
    • ALBB-020392
    • Tox21_302056
    • BBL027374
    • BDBM50490554
    • STK802467
    • AKOS000274969
    • DB02534
    • FA34670
    • NCGC00255154-01
    • AS-17714
    • PD007888
    • CAS-1745-81-9
    • A0233
    • CS-0074162
    • NS00020393
    • EN300-21161
    • F18833
    • Q27093513
    • F2137-0011
    • Z104493210
    • 217-119-0
    • 27924-98-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 862.65
    methanol 535.95
    isopropanol 748.72
    water 0.95
    ethyl acetate 453.38
    n-propanol 671.33
    acetone 598.38
    n-butanol 560.49
    acetonitrile 680.88
    DMF 860.05
    toluene 180.88
    isobutanol 477.72
    1,4-dioxane 819.59
    methyl acetate 499.66
    THF 908.88
    2-butanone 582.73
    n-pentanol 347.83
    sec-butanol 564.76
    n-hexane 106.04
    ethylene glycol 119.19
    NMP 377.29
    cyclohexane 96.15
    DMSO 954.06
    n-butyl acetate 600.23
    n-octanol 280.93
    chloroform 892.83
    n-propyl acetate 386.46
    acetic acid 301.97
    dichloromethane 971.49
    cyclohexanone 527.22
    propylene glycol 171.49
    isopropyl acetate 227.9
    DMAc 482.92
    2-ethoxyethanol 351.22
    isopentanol 383.94
    n-heptane 123.08
    ethyl formate 373.67
    1,2-dichloroethane 607.91
    n-hexanol 610.95
    2-methoxyethanol 513.93
    isobutyl acetate 223.56
    tetrachloromethane 147.95
    n-pentyl acetate 236.31
    transcutol 875.68
    n-heptanol 271.6
    ethylbenzene 142.63
    MIBK 257.37
    2-propoxyethanol 561.72
    tert-butanol 633.64
    MTBE 458.85
    2-butoxyethanol 318.61
    propionic acid 383.0
    o-xylene 135.18
    formic acid 65.98
    diethyl ether 547.06
    m-xylene 148.15
    p-xylene 161.8
    chlorobenzene 219.56
    dimethyl carbonate 141.83
    n-octane 55.07
    formamide 168.9
    cyclopentanone 601.94
    2-pentanone 436.2
    anisole 262.3
    cyclopentyl methyl ether 351.35
    gamma-butyrolactone 617.2
    1-methoxy-2-propanol 454.37
    pyridine 465.23
    3-pentanone 295.84
    furfural 413.64
    n-dodecane 43.16
    diethylene glycol 314.9
    diisopropyl ether 150.77
    tert-amyl alcohol 476.82
    acetylacetone 303.11
    n-hexadecane 47.49
    acetophenone 216.5
    methyl propionate 337.42
    isopentyl acetate 392.03
    trichloroethylene 829.67
    n-nonanol 230.12
    cyclohexanol 315.64
    benzyl alcohol 185.37
    2-ethylhexanol 342.81
    isooctanol 215.0
    dipropyl ether 461.97
    1,2-dichlorobenzene 186.04
    ethyl lactate 156.28
    propylene carbonate 350.67
    n-methylformamide 438.85
    2-pentanol 388.97
    n-pentane 99.23
    1-propoxy-2-propanol 478.16
    1-methoxy-2-propyl acetate 306.41
    2-(2-methoxypropoxy) propanol 268.88
    mesitylene 105.2
    ε-caprolactone 387.21
    p-cymene 122.41
    epichlorohydrin 704.3
    1,1,1-trichloroethane 457.42
    2-aminoethanol 249.47
    morpholine-4-carbaldehyde 435.68
    sulfolane 594.27
    2,2,4-trimethylpentane 47.03
    2-methyltetrahydrofuran 636.46
    n-hexyl acetate 324.64
    isooctane 48.71
    2-(2-butoxyethoxy)ethanol 381.64
    sec-butyl acetate 202.44
    tert-butyl acetate 239.23
    decalin 58.04
    glycerin 167.37
    diglyme 634.28
    acrylic acid 223.4
    isopropyl myristate 153.93
    n-butyric acid 459.19
    acetyl acetate 165.01
    di(2-ethylhexyl) phthalate 106.48
    ethyl propionate 255.98
    nitromethane 524.74
    1,2-diethoxyethane 442.13
    benzonitrile 255.32
    trioctyl phosphate 105.41
    1-bromopropane 504.4
    gamma-valerolactone 532.32
    n-decanol 182.37
    triethyl phosphate 118.38
    4-methyl-2-pentanol 198.73
    propionitrile 574.41
    vinylene carbonate 299.75
    1,1,2-trichlorotrifluoroethane 319.93
    DMS 182.99
    cumene 114.29
    2-octanol 193.34
    2-hexanone 402.32
    octyl acetate 181.07
    limonene 183.88
    1,2-dimethoxyethane 652.45
    ethyl orthosilicate 114.21
    tributyl phosphate 115.97
    diacetone alcohol 293.37
    N,N-dimethylaniline 186.3
    acrylonitrile 514.66
    aniline 196.32
    1,3-propanediol 337.04
    bromobenzene 236.83
    dibromomethane 749.37
    1,1,2,2-tetrachloroethane 600.18
    2-methyl-cyclohexyl acetate 188.18
    tetrabutyl urea 165.36
    diisobutyl methanol 193.13
    2-phenylethanol 244.26
    styrene 162.81
    dioctyl adipate 170.09
    dimethyl sulfate 191.2
    ethyl butyrate 361.61
    methyl lactate 156.35
    butyl lactate 177.92
    diethyl carbonate 207.07
    propanediol butyl ether 265.93
    triethyl orthoformate 188.73
    p-tert-butyltoluene 116.59
    methyl 4-tert-butylbenzoate 213.99
    morpholine 726.62
    tert-butylamine 427.59
    n-dodecanol 150.51
    dimethoxymethane 492.48
    ethylene carbonate 260.24
    cyrene 186.98
    2-ethoxyethyl acetate 257.79
    2-ethylhexyl acetate 295.18
    1,2,4-trichlorobenzene 193.58
    4-methylpyridine 412.35
    dibutyl ether 304.03
    2,6-dimethyl-4-heptanol 193.13
    DEF 389.28
    dimethyl isosorbide 344.86
    tetrachloroethylene 371.83
    eugenol 210.29
    triacetin 211.99
    span 80 242.01
    1,4-butanediol 157.07
    1,1-dichloroethane 706.14
    2-methyl-1-pentanol 278.02
    methyl formate 307.23
    2-methyl-1-butanol 362.05
    n-decane 69.38
    butyronitrile 602.79
    3,7-dimethyl-1-octanol 231.55
    1-chlorooctane 197.23
    1-chlorotetradecane 88.69
    n-nonane 73.96
    undecane 53.76
    tert-butylcyclohexane 65.9
    cyclooctane 41.9
    cyclopentanol 344.91
    tetrahydropyran 727.82
    tert-amyl methyl ether 289.98
    2,5,8-trioxanonane 433.53
    1-hexene 325.94
    2-isopropoxyethanol 289.51
    2,2,2-trifluoroethanol 90.37
    methyl butyrate 367.05

    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
Mustard seed (China) 1 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.07%
Myrica cerifera leaf (Cuba) Myrica cerifera L., fam. Myricaceae 0.12%