2-Phenylnitroethane

  • Identifiers

    CAS number
    612-22-6

    Molecular formula
    C8H9NO2

    SMILES
    CCC1=CC=CC=C1[N+](=O)[O-]

    Retention indicies (RI)

    • Carbowax: 2130.0

  • Odor profile

    sweet 53.78%
    floral 46.51%
    phenolic 39.09%
    animal 33.99%
    powdery 33.5%
    herbal 33.34%
    balsamic 33.14%
    spicy 32.46%
    honey 31.6%
    hay 28.5%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7 Well soluble in DEP, BB, MMB

    Molecular weight
    151.16 g/mol

  • Synonyms

    • 2-Ethylnitrobenzene
    • 1-Ethyl-2-nitrobenzene
    • 612-22-6
    • o-Ethylnitrobenzene
    • Ethylnitrobenzene
    • Benzene, 1-ethyl-2-nitro-
    • o-Nitroethylbenzene
    • 2-Ethyl-1-nitrobenzene
    • 30179-51-2
    • DZR8C3N7UE
    • NSC-5095
    • CCRIS 3099
    • NSC5095
    • NSC 5095
    • EINECS 210-299-1
    • EINECS 250-083-4
    • o-ethyl nitrobenzene
    • UNII-DZR8C3N7UE
    • SCHEMBL124981
    • SCHEMBL3121140
    • 1-Ethyl-2-nitrobenzene, 96%
    • DTXSID4073209
    • SCHEMBL14417279
    • MFCD00024294
    • AKOS015888596
    • AS-17507
    • E0153
    • NS00034608
    • EN300-174278
    • F87374
    • 1-Ethyl-2-nitrobenzene, purum, >=98.0% (GC)
    • F0001-2459
    • InChI=1/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H
1 4

Botanical

Name CAS Botanical Proportion
False acacia headspace (Black locust) Robinia pseudoacacia L. (False acacia) (Black locust), fam. Leguminosae 1.0%
Honeysuckle headspace Lonicera caprifoleum L., fam. Caprifoliaceae 0.1%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.03%