Linalyl acetate

  • Identifiers

    CAS mumber
    115-95-7

    Molecular formula
    C12H20O2

    SMILES
    CC(=CCCC(C)(C=C)OC(=O)C)C

    Retention indicies (RI)

    • DB5: 1263.8
    • Carbowax: 1554.14

  • Properties

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

    Molecular weight
    196.29 g/mol

    Melting points

    • < 25 °C

    Boiling points

    • 221 °C
    • 220.00 °C. @ 760.00 mm Hg
    • 220 °C

    Flash points

    • 94 °C (201 °F) - closed cup
    • 185 °F (85 °C) (closed cup)
    • 85 °C c.c.

    Solubilities

    • Insoluble in water
    • Miscible with ethanol, ether
    • Soluble in alcohol, ether, diethyl phthalate, benzyl benzoate, mineral oil, fixed oils; slightly soluble in propylene glycol; insoluble in glycerol.
    • Solubility in water: poor
    • slightly soluble in propylene glycol; insoluble in glycerol and water; miscible with alcohol and fixed oils
    • 1 ml in 5 ml 70% alcohol (in ethanol)

  • Synonyms

    • LINALYL ACETATE
    • 115-95-7
    • Linalool acetate
    • Bergamiol
    • Bergamol
    • 3,7-dimethylocta-1,6-dien-3-yl acetate
    • Lynalyl acetate
    • Linalol acetate
    • Licareol acetate
    • Acetic acid linalool ester
    • 3,7-Dimethyl-1,6-octadien-3-yl acetate
    • 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
    • 3,7-Dimethyl-1,6-octadien-3-ol acetate
    • 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate
    • Ex bois de rose (synthetic)
    • FEMA No. 2636
    • Linalyl acetate (natural)
    • NSC 2138
    • HSDB 644
    • Phanteine
    • Dehydrolinalool, acetate
    • EINECS 204-116-4
    • EINECS 254-806-4
    • UNII-5K47SSQ51G
    • MFCD00008907
    • 5K47SSQ51G
    • 3,7-Dimethyl-1,6-ctadien-3-ol acetate
    • DTXSID7026946
    • AI3-00941
    • NSC-2138
    • (1)-1,5-Dimethyl-1-vinylhex-4-enyl acetate
    • LINALOOL ACETATE, DL-
    • DTXCID006946
    • CHEBI:78333
    • EC 204-116-4
    • LINALYL ACETATE, (+/-)-
    • LINALOYL ACETATE, (+/-)-
    • 1,5-Dimethyl-1-vinyl-4-hexenyl acetate
    • 1,5-dimethyl-1-vinylhex-4-en-1-yl acetate
    • LINALYL ACETATE (USP-RS)
    • LINALYL ACETATE [USP-RS]
    • Aetic Acid Linalool Ester
    • CAS-115-95-7
    • LINALYL ACETATE SYNTHETIC
    • (+)-1,5-Dimethyl-1-vinylhex-4-enyl acetate
    • (+-)-Linalyl acetate
    • Acetic acid-linalyl ester
    • CHEBI:6469
    • linaloyl acetate
    • rac-3,7-dimethylocta-1,6-dien-3-yl acetate
    • (+-)-3,7-dimethylocta-1,6-dien-3-yl acetate
    • (-)-S-Linalyl acetate
    • (+/-)-linalyl acetate
    • (1,5-dimethyl-1-vinyl-hex-4-enyl) acetate
    • Linalyl acetate (Standard)
    • 3,6-octadien-3-ol acetate
    • 3,6-octadien-3-yl acetate
    • SCHEMBL58028
    • (.+/-.)-Linalyl acetate
    • LINALYL ACETATE [MI]
    • Linalyl acetate Ex Petitgrain
    • LINALYL ACETATE [FCC]
    • Linalyl acetate Synthetic FCC
    • UNII: 5K47SSQ51G
    • 1, 3,7-dimethyl-, acetate
    • LINALYL ACETATE [FHFI]
    • LINALYL ACETATE [HSDB]
    • CHEMBL502773
    • WLN: 1Y&U3Y1U1OV1
    • FEMA 2636
    • HY-N6948R
    • NSC2138
    • Linalyl acetate, natural, >=80%
    • HY-N6948
    • Linalyl acetate, analytical standard
    • Tox21_201306
    • Tox21_303134
    • AKOS015901735
    • Linalyl acetate, >=97%, FCC, FG
    • CS-W010587
    • 3,7-dimethyl-1,6octadien-3-yl acetate
    • NCGC00164001-01
    • NCGC00164001-02
    • NCGC00257047-01
    • NCGC00258858-01
    • 1,5-Dimethyl-1-vinylhex-4-enyl acetate
    • AC-20000
    • BS-49383
    • FL156882
    • L0049
    • NS00010320
    • Salvia desoleana Atzei & Picci essential oil.
    • 3,7-Dimethyl-acetate(3R)-1,6-Octadien-3-ol
    • E80781
    • 1,6-Octadien-3-ol, 3, 7-dimethyl-, acetate
    • 3,7-Dimethyl-1,6-octadien-3-yl acetate, 97%
    • EN300-7444436
    • 3,7-Dimethyl-3-acetate(3R)-1,6-Octadien-3-ol
    • Q188314
    • Flavor and Extract Manufacturers' Association No. 2636
    • Z1255415454
    • Acetic acid-linalyl ester 1000 microg/mL in Acetonitrile
    • 204-116-4
1 3

Botanical

Name CAS Botanical Proportion
Anise (Egypt) 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.01%
Artemisia nilagirica (vulgaris) (India) 1 Artemisia nilagirica (C.B. Clarks) Pamp. (A. vulgaris Hook f.), Asteraceae 0.54%
Basil (Italy) 1b dry leaves 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.1%
Basil (Italy) 1c frozen leaves 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.05%
Basil (Italy) 1d oleoresin dry leaves 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.05%
Basil (Italy) 1e oleoresin frozen leaves 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.05%
Basil (European) 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.2%
Basil (European) 1 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.1%
Bergamot (Argentina) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 28.1%
Bergamot (Argentina) 2 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 27.4%
Bergamot (Italy, Calabria) 3 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 29.7%
Bergamot (China) 5 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 14.67%
Bergamot (China) 2 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 15.89%
Bergamot (China) 3 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 31.15%
Bergamot (China) 4 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 31.15%
Bergamot (France, Corsica) 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 29.48%
Bergamot (Italy) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 26.88%
Bergamot (Italy) 2 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 32.71%
Bergamot (Italy) 3 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 31.3%
Bergamot (Ivory coast: Coci) 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 31.11%
Bergamot (Ivory coast: Diva) 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 32.66%
Bergamot (Italy, Tuscan) 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 23.0%
Bergamot (Italy, Calabria) 4 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 28.12%
Bergamot (Italy, Calabria) 6 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 27.85%
Bergamot (Italy, Calabria) 5 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 26.69%
Bergamot (China) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 11.37%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.07%
Calamintha sylvatica (Belgium) Calamintha sylvatica Bromf., fam. Lamiaceae (Labiatae) 10.0%
Ginger (Malaysia) 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 2.52%
Cardamom seed 1 8000-66-6 Elettaria cardamomum (L.) Maton, fam. Zingiberaceae 6.2%
Cardamom (Costa Rica) 8000-66-6 Elettaria cardamomum (L.) Maton, fam. Zingiberaceae 1.96%
Cardamom (Reunion) 8000-66-6 Elettaria cardamomum (L.) Maton, var. alpha-minor, fam. Zingiberaceae 0.2%
Carrot leaf (India) 8015-88-1 Daucus carota L. var. sativa, fam. Apiaceae (Umbelliferae) 8.35%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.03%
Bitter orange leaf 1 (Petitgrain) 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 50.65%
Cedarleaf 3 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.31%
Citronella java 1 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 2.0%
Citronella java (China) 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.01%
Clary sage 1 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 66.7%
Ginger (Australia) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.03%
Plectranthus barbatus (Brazil) 1 Plectranthus barbatus Andr. (Coleus barbatus), fam. Lamiaceae (Labiatae) 0.81%
Oregano, spanish (Israel) 3 8007-11-2 Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae 0.05%
Elsholtzia strobilifera Elsholtzia strobilifera Benth., fam. Lamiaceae (Labiatae) 0.01%
Ginger (India) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.02%
Galbanum 2 9000-24-2 Ferula galbaniflua Boiss. et Buhse, fam. Apiaceae (Umbelliferae) 0.5%
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 3.42%
Geranium, Bourbon 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.1%
Ho leaf 1 8022-91-1 Cinnamomum camphora Sieb. ssp. formosana var. brientalis, fam. Lauraceae 0.2%
Homalomena aromatica rhizome (Vietnam) Homalomena aromatica Schott. (Calla aromatica), fam. Araceae 3.3%
Dracocephalum kotschyi Dracocephalum kotschyi Boiss., fam. Lamiaceae (Labiatae) 0.6%
Lavandin (Italy) 1 (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 25.3%
Hyssop (Bulgaria) 8006-83-5 Hyssopus officinalis L. ssp officinalis, fam. Lamiaceae (Labiatae) 0.8%
Bergamot (Italy, Calabria) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 1.41%
Bergamot (Italy, Calabria) 2 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 18.95%
Lavandin (France) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia); fam. Lamiaceae (Labiatae) 23.51%
Lavender (France) 1 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 22.04%
Mandarin 1 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.49%
Sage, spanish (Spain) 2 8016-65-7 Salvia lavandulaefolia Vahl., fam. Lamiaceae (Labiatae) 0.34%
Clary sage (France) 1 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 69.93%
Sage, dalmatian (Bulgaria) 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.2%
Rosemary (Morocco) 1 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Rosemary (France) 1 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 1.0%
Juniper leaf 2 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.08%
Cypress (Algeria) 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.13%
Peppermint (Italy) 10a 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.3%
Peppermint (Italy) 10b 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.1%
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.05%
Eromenthe (USA) 2 Mentha spicata L., var. eromenthe, fam. Lamiaceae (Labiatae) 0.01%
Yuzu (Japan) 3 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%
Lemon (Japan) 4 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Juniper leaf (Romania) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.05%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Neroli bigarade (bitter orange flower) China 3 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 16.38%
Skimmia laureola (India) 2 Skimmia laureola Sieb. et Zucc., fam. Rutaceae 43.9%
Skimmia laureola (India) 3 Skimmia laureola Sieb. et Zucc., fam. Rutaceae 59.88%
Skimmia laureola (India) 4 Skimmia laureola Sieb. et Zucc., fam. Rutaceae 55.6%
Cedarleaf (Japan) 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.31%
Vassoura (Brazil) 2 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.01%
Bitter orange leaf (Petitgrain) (Japan) 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 49.8%
Bitter orange leaf (Petitgrain) (USA) 1 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 18.3%
Bitter orange leaf (Petitgrain) (China) 1 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 44.08%
Bitter orange leaf (Petitgrain) (Spain) 2 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 45.85%
Lemon leaf (petitgrain) (Italy) 1 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.23%
Lemon leaf (petitgrain) (Italy) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 6.5%
Lime (Japan) leaf 90063-52-8 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.05%
Grapefruit leaf (Taiwan) 90045-43-5 Citrus paradisi Macfayden, fam. Rutaceae 0.08%
Abies sachalinensis (Finland) Abies sachalinensis (Fr. Schm.) Mast, fam. Pinaceae 0.3%
Abies mayriana (Finland) Abies mayriana Miy. et Kudo Needle, fam. Pinaceae 0.3%
Heteromorpha trifoliata Heteromorpha trifoliata (Wendl.) Eckl. & Zey., fam.Apiaceae (Umbelliferae) 0.05%
Orange leaf, sweet (Japan) Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.1%
Orange leaf, sweet (Taiwan) Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.15%
Bergamot leaf (USA) Citrus bergamia Risso et Poiteau, fam. Rutaceae 22.3%
Bergamot leaf (Taiwan) Citrus bergamia Risso et Poiteau, fam. Rutaceae 51.64%
Rough lemon leaf (India) Citrus jambhiri Lush., fam. Rutaceae 3.15%
Laurel leaf (China) 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.8%
Laurel leaf (Albania) 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.6%
Ylang Ylang 2a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.2%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 26.18%