Citronellyl butyrate

  • Identifiers

    CAS mumber
    141-16-2

    Molecular formula
    C14H26O2

    SMILES
    CCCC(=O)OCCC(C)CCC=C(C)C

    Retention indicies (RI)

    • DB5: 1529.0
    • Carbowax: 1786.0

  • Properties

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

    Molecular weight
    226.35 g/mol

    Boiling points

    • 245.00 °C. @ 760.00 mm Hg

    Solubilities

    • miscible with alcohol, ether, most fixed oils, chloroform; insoluble in water
    • 1 ml in 6 ml 80% alcohol gives clear soln (in ethanol)

  • Synonyms

    • Citronellyl butyrate
    • 141-16-2
    • Butanoic acid, 3,7-dimethyl-6-octen-1-yl ester
    • Citronellyl butanoate
    • Citronellyl n-butyrate
    • 3,7-dimethyloct-6-enyl butanoate
    • Butanoic acid, 3,7-dimethyl-6-octenyl ester
    • 3,7-dimethyloct-6-en-1-yl butanoate
    • 3,7-Dimethyl-6-octenyl butanoate
    • Butyric acid, ester with citronellol
    • FEMA No. 2312
    • 3,7-dimethyloct-6-en-1-yl butyrate
    • 2,6-Dimethyl-2-octen-8-yl butyrate
    • 3,7-Dimethyl-6-octen-1-yl butyrate
    • Butyric acid, 3,7-dimethyl-6-octenyl ester
    • 2,6-Dimethyl-2-octen-8-ol, butyrate
    • 3,7-Dimethyl-6-octenyl butyrate
    • NSC 46147
    • Citronellyl butyrate (natural)
    • (1)-3,7-Dimethyloct-6-enyl butyrate
    • 6-OCTEN-1-OL, 3,7-DIMETHYL-, BUTYRATE
    • EINECS 205-463-4
    • EINECS 278-467-7
    • IY68QPD54V
    • BRN 1707201
    • DTXSID5047405
    • AI3-24200
    • NSC-46147
    • DTXCID3027405
    • CITRONELLYL BUTYRATE [FCC]
    • CITRONELLYL BUTYRATE [FHFI]
    • 2-02-00-00248 (Beilstein Handbook Reference)
    • (+/-)-CITRONELLYL BUTYRATE
    • CITRONELLYL BUTYRATE, (+/-)-
    • Butyric acid, 3,7-dimethyl-6-octenyl ester (8CI)
    • UNII-IY68QPD54V
    • 2, butyrate
    • SCHEMBL310496
    • CHEMBL3185221
    • FEMA 2312
    • CHEBI:171871
    • NSC46147
    • WLN: 3VO2Y1&3UY1&1
    • Tox21_302488
    • Citronellyl butyrate, FCC, >=90%
    • LMFA07010814
    • MFCD00036581
    • 6-Octen-1-ol,7-dimethyl-, butyrate
    • Butyric acid,7-dimethyl-6-octenyl ester
    • NCGC00256871-01
    • Butanoic acid,7-dimethyl-6-octenyl ester
    • CAS-141-16-2
    • E275
    • DB-254258
    • CS-0223859
    • NS00012110
    • G20119
    • Citronellyl butyrate, natural (US), >=85%, FG
    • EN300-11686336
    • Q27280949
    • Z2044751985
    • 205-463-4
1 3

Botanical

Name CAS Botanical Proportion
Citronella java 1 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.01%
Geranium (Algeria) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.14%
Geranium, Bourbon 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.34%
Geranium, Bourbon 5 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.37%
Geranium, Bourbon 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.38%
Geranium, Bourbon 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.26%
Geranium (China) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.52%
Geranium (Egypt) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.75%
Geranium (Morocco) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.07%
Citronella ceylon 1 8000-29-1 Cymbopogon nardus (L.) Rendle, fam. Poaceae (Gramineae) 0.01%
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.55%
Geranium (Rwanda) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.18%
Geranium (India) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.36%
Geranium (India) 8 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.19%
Geranium (Egypt) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.5%
Meyer lemon leaf (Russia) 2 Citrus limon x Citrus sinensis, fam. Rutaceae 0.3%
Ginger (Ethiopia) 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 1.02%
Geranium (Australia) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.6%
Geranium (Egypt) 5 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.6%
Geranium, Bourbon 11 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.5%
Geranium (Morocco) 3 8000-46-2 Pelargonium graveolens L'Herti. ex Aiton, fam. Geraniaceae 0.4%
Geranium (China) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, gam. Geraniaceae 0.9%
Keora (India) 2 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 0.06%
Geranium (India) 11 8000-46-2 Pelargonium species, fam. Geraniaceae 0.1%
Geranium (India) 14a 8000-46-2 Pelargonium species, cultivar Bourbon, fam. Geraniaceae 0.2%
Santolina insularis (Italy) 1b hydrodistilled Santolina insularis L., fam. Asteraceae (Compositae) 0.4%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.4%
Geranium (India) 12a Genotype 1 'Algerian' 8000-46-2 Pelargonium species, fam. Geraniaceae 2.1%
Geranium (India) 12b Genotype 2 'Bourbon' 8000-46-2 Pelargonium species, fam. Geraniaceae 0.4%
Geranium (India) 12c Genotype 3 'Kelkar' 8000-46-2 Pelargonium species, fam. Geraniaceae 0.2%