Heptyl acetate

  • Identifiers

    CAS mumber
    112-06-1

    Molecular formula
    C9H18O2

    SMILES
    CCCCCCCOC(=O)C

    Retention indicies (RI)

    • DB5: 1113.0
    • Carbowax: 1364.0

  • Properties

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

    Molecular weight
    158.24 g/mol

    Melting points

    • -58.4 °F (USCG, 1999)
    • -50 °C

    Boiling points

    • 378.5 °F at 760 mmHg (USCG, 1999)
    • 192.00 to 193.00 °C. @ 760.00 mm Hg

    Flash points

    • 154 °F (USCG, 1999)

    Solubilities

    • soluble in alcohol, ether; insoluble in water

  • Synonyms

    • Heptyl acetate
    • 112-06-1
    • Acetic acid, heptyl ester
    • Heptanyl acetate
    • 1-Heptyl acetate
    • N-HEPTYL ACETATE
    • n-Heptyl ethanoate
    • Acetate C-7
    • Heptyl ethanoate
    • Acetic acid n-heptyl ester
    • Heptanol acetate
    • FEMA No. 2547
    • Acetic Acid Heptyl Ester
    • n-Heptyl acetate (natural)
    • HEPTYLACETATE
    • NSC 3833
    • EINECS 203-932-8
    • BRN 1752297
    • DTXSID9047124
    • UNII-6551B78I5U
    • AI3-02072
    • NSC-3833
    • 6551B78I5U
    • HEPTYL ACETATE [FHFI]
    • DTXCID7027124
    • 4-02-00-00162 (Beilstein Handbook Reference)
    • Acetate C7
    • MFCD00027311
    • SCHEMBL36571
    • WLN: 7OV1
    • Heptyl acetate, >=98%, FG
    • CHEMBL2228455
    • FEMA 2547
    • NSC3833
    • CHEBI:165651
    • Tox21_302615
    • LMFA07010186
    • AKOS015904125
    • Heptyl acetate, natural, >=98%, FG
    • NCGC00256785-01
    • CAS-112-06-1
    • LS-13712
    • DB-370596
    • A0904
    • CS-0152145
    • NS00012520
    • Q2823832
    • 203-932-8
1 3

Botanical

Name CAS Botanical Proportion
Shanqiu Anaphalis margaritacea (L.) Benth.et Hook.(Shanqiu),fam.Asteraceae (Comp.) 0.02%
Ginger (Australia) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.09%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.02%
Orange, sweet (Japan) (oxygenated compounds) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Fukuhara, fam. Rutaceae 0.01%
Orange, sweet (USA) (hydrocarbon-free) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.01%
Lemon (Japan) 4 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Heracleum platytaenium (Turkey) Heracleum platytaenium Boiss. (syn.H. spathyphyllum C.Koch),fam. Apiaceae 0.03%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%
Bergamot (Italy) 4 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Clementine (Italy) 3a Citrus clementina Hort. ex Tan., cultivar Oroval, fam. Rutaceae 0.01%
Clementine (Italy) 3b Citrus clementina Hort. ex Tan., cultivar Monreal, fam. Rutaceae 0.01%
Clementine (Italy) 3c Citrus clementina Hort. ex Tan., cultivar Comune, fam. Rutaceae 0.01%
Clementine (Uruguay) 1a Citrus clementina Hort. ex Tan., cultivar Nules, fam. Rutaceae 0.01%
Clementine (Uruguay) 1b Citrus clementina Hort. ex Tan., cultivar Comune, fam. Rutaceae 0.01%
Orange, sweet (Italy) 8 Maltese 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Maltese, fam. Rutaceae 0.01%
Orange, sweet (Italy) 7 FMC process 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.01%
Bergamot (Uruguay) 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 15a Femminello siracusano 84929-31-7 Citrus limon (L.) Burm. f., cultivar Femminello siracusano, fam. Rutaceae 0.01%
Bergamot (Japan) 2 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy) 6 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Sicily) 1a Castagnaro 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Sicily) 1b Fantastico 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Sicily) 1c Feminello 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Sicily) 1d PCF 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy, Calabria) 8 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 15b Femminello continella 84929-31-7 Citrus limon (L.) Burm. f., cultivar Femminello continella, fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 15c Femminello incappuciato 84929-31-7 Citrus limon (L.) Burm. f., cultivar Femminello incappuciato, fam.Rutaceae 0.01%