Neryl propionate

  • Identifiers

    CAS mumber
    105-91-9

    Molecular formula
    C13H22O2

    SMILES
    CCC(=O)OC/C=C(/C)\CCC=C(C)C

    Retention indicies (RI)

    • DB5: 1454.0
    • Carbowax: 1775.0

  • Properties

    XLogP3-AA
    3.9 Well soluble in BB, DEP, IPM

    Molecular weight
    210.31 g/mol

    Boiling points

    • 233.00 °C. @ 760.00 mm Hg

    Solubilities

    • very slightly
    • very slightly soluble in water; soluble in alcohol
    • 1 ml in 15 ml 70% alcohol (in ethanol)

  • Synonyms

    • Neryl propionate
    • Neryl propanoate
    • 105-91-9
    • Propionic acid, neryl ester
    • FEMA No. 2777
    • Neryl propionate (natural)
    • [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate
    • cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate
    • UNII-FAS39QE02Z
    • 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, PROPIONATE, (Z)-
    • EINECS 203-345-7
    • FAS39QE02Z
    • Propionic acid, 3,7-dimethyl-2,6-octadien-1-yl ester
    • 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-
    • 3,7-Dimethyl-2,6-octadienyl propanoate, (Z)-
    • 3,7-Dimethyl-2,6-octadienyl propionate, (Z)-
    • 3,7-Dimethyl-2,6-octadien-1-yl propanoate, cis-
    • 3,7-Dimethyl-2,6-octadien-1-yl propionate, cis-
    • NERYL PROPIONATE [FHFI]
    • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2Z)-
    • FEMA 2777
    • DTXSID90883167
    • (2Z)-3,7-dimethylocta-2,6-dien-1-yl propanoate
    • (Z)-3,7-Dimethyl-2,6-octadienyl propanoate
    • (Z)-3,7-Dimethyl-2,6-octadienyl propionate
    • 3,7-Dimethyl-propanoate(Z)-2,6-Octadien-1-ol
    • 3,7-Dimethyl-propionate(Z)-2,6-Octadien-1-ol
    • cis-3,7-Dimethyl-2,6-octadien-1-yl propanoate
    • cis-3,7-Dimethyl-2,6-octadien-1-yl propionate
    • 3,7-Dimethyl-propanoate(2Z)-2,6-Octadien-1-ol
    • 3,7-Dimethyl-1-propanoate(2Z)-2,6-Octadien-1-ol
    • (Z)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL PROPANOATE
    • 2,6-Octadien-1-ol,3,7-dimethyl-, 1-propanoate, (2Z)-
    • 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2Z)-
    • ((2Z)-3,7-dimethylocta-2,6-dienyl) propanoate
    • Neryl propionic acid
    • Geranyl propionic acid
    • SCHEMBL1532465
    • CHEBI:174072
    • DTXCID001022724
    • LMFA07010976
    • AKOS015901976
    • (2Z)-3,7-Dimethyl-2,6-octadienyl propionate #
    • Q27277892
    • 203-345-7
1 3

Botanical

Name CAS Botanical Proportion
Cymbopogon distans 1 (Himalaya) Cymbopogon distans (Steud.) Wats. (Chemotype 1), fam. Poaceae (Gramineae) 2.4%
Helichrysum italicum (Yugoslavia) 8023-95-8 Helichrysum italicum (Roth) G. Don (H. angustifolium D.C.), fam.Asteraceae 1.2%
Dracocephalum kotschyi Dracocephalum kotschyi Boiss., fam. Lamiaceae (Labiatae) 0.6%
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.14%
Scullcap Scutellaria lateriflora L., fam. Lamiaceae (Labiatae) 0.2%
Chervil (France) 8000-44-0 Anthriscus cerefolium (L.) Hoffm. (Cerefolium sativum Lam.), fam. Apiaceae 0.1%
Lemon (USA-California) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 8 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Thymus funkii Thymus funkii Cosson, fam. Lamiaceae (Labiatae) 0.05%
Helichrysum italicum 1a 8023-95-8 Helichrysum italicum (Roth) G. Don ssp. italicum, fam. Asteraceae 6.53%
Helichrysum italicum 1b 8023-95-8 Helichrysum italicum ssp. microphyllum (Willd.) Nyman, fam. Asteraceae 1.76%
Helichrysum italicum (Italy-Sardinia) 8023-95-8 Helichrysum italicum (Roth) G. Don ssp. microphylum (Willd.) Nyman, Aster. 5.75%
Helichrysum italicum (France-Corsica) 8025-95-8 Helichyrsum italicum (Roth) G. Don ssp.italicum, fam. Asteraceae (Compos.) 5.8%