cis-Sesquisabinene hydrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    58319-05-4

    Molecular formula
    C15H26O

    SMILES
    CC(CCC=C(C)C)[C@]12CC[C@@](C1C2)(C)O

    Retention indicies (RI)

    • DB5: 1545.0

  • Odor profile

    Woody 66.38%
    Floral 58.64%
    Sweet 54.33%
    Balsamic 49.65%
    Waxy 36.74%
    Sandalwood 36.68%
    Fresh 36.03%
    Spicy 34.54%
    Fruity 34.28%
    Clean 33.26%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    299°C

    Flash point est.
    106.84 ˚C

  • Synonyms

    • cis-Sesquisabinene hydrate
    • CHEBI:85087
    • (2R,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol
    • (2R,5R)-2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo(3.1.0)hexan-2-ol
    • (2R,5R)-2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol
    • (2R,5R)-2-methyl-5-((2S)-6-methylhept-5-en-2-yl)bicyclo(3.1.0)hexan-2-ol
    • cis-Sesquisabinene hydric acid
    • IRDFGGRWKUKANK-NEXFUWMNSA-N
    • trans-7-epi-Sesquisabinene hydrate
    • Q27158324
    • 58319-05-4

  • Applications

    cis-Sesquisabinene hydrate (CAS 58319-05-4) is an oxygenated sesquiterpene with a woody–herbal, slightly spicy odor used as a fragrance ingredient and nuance modifier in fine fragrances, cosmetics, personal care, and home-care scents (candles, cleaners, air care), and it may be formulated as a natural flavor in foods/beverages where permitted; in R&D and QC it serves as a GC/GC–MS reference standard for identification, quantitation, and authenticity testing of sesquiterpene-rich essential oils (e.g., conifer, bark, spice oils), and as a chiral scaffold/building block for terpenoid synthesis and bioactivity screening; preclinical reports on related sesquiterpenes indicate antimicrobial, antioxidant, and insect-repellent potential, making it an exploratory ingredient for mild preservation, malodor control, and repellents, with practical notes on moderate volatility, good solubility in oils/alcohols but poor in water (favoring microemulsions or encapsulation), and the need to follow IFRA/local limits and mitigate oxidation with antioxidants, dark packaging, and inert headspace.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1785.44
    methanol 949.06
    isopropanol 2038.32
    water 0.74
    ethyl acetate 1396.63
    n-propanol 1449.79
    acetone 1253.5
    n-butanol 1420.79
    acetonitrile 694.84
    DMF 760.81
    toluene 640.99
    isobutanol 984.8
    1,4-dioxane 2331.15
    methyl acetate 948.63
    THF 2949.45
    2-butanone 1060.86
    n-pentanol 630.03
    sec-butanol 1035.04
    n-hexane 157.92
    ethylene glycol 141.74
    NMP 228.34
    cyclohexane 272.01
    DMSO 417.92
    n-butyl acetate 830.26
    n-octanol 324.5
    chloroform 1439.58
    n-propyl acetate 572.01
    acetic acid 388.26
    dichloromethane 926.89
    cyclohexanone 777.07
    propylene glycol 334.42
    isopropyl acetate 1170.73
    DMAc 711.21
    2-ethoxyethanol 925.34
    isopentanol 1154.85
    n-heptane 100.2
    ethyl formate 406.47
    1,2-dichloroethane 670.02
    n-hexanol 1067.62
    2-methoxyethanol 1672.88
    isobutyl acetate 514.5
    tetrachloromethane 271.36
    n-pentyl acetate 418.82
    transcutol 3174.49
    n-heptanol 341.56
    ethylbenzene 294.93
    MIBK 815.14
    2-propoxyethanol 1675.65
    tert-butanol 1806.61
    MTBE 2408.47
    2-butoxyethanol 728.63
    propionic acid 368.34
    o-xylene 308.06
    formic acid 105.2
    diethyl ether 2360.67
    m-xylene 427.45
    p-xylene 355.14
    chlorobenzene 429.26
    dimethyl carbonate 287.98
    n-octane 43.07
    formamide 210.07
    cyclopentanone 735.43
    2-pentanone 1091.31
    anisole 666.07
    cyclopentyl methyl ether 1013.51
    gamma-butyrolactone 604.0
    1-methoxy-2-propanol 1666.95
    pyridine 912.59
    3-pentanone 694.07
    furfural 509.43
    n-dodecane 31.48
    diethylene glycol 912.01
    diisopropyl ether 774.4
    tert-amyl alcohol 943.41
    acetylacetone 970.71
    n-hexadecane 36.71
    acetophenone 371.37
    methyl propionate 764.87
    isopentyl acetate 874.06
    trichloroethylene 926.24
    n-nonanol 304.97
    cyclohexanol 661.91
    benzyl alcohol 371.06
    2-ethylhexanol 422.87
    isooctanol 282.56
    dipropyl ether 791.13
    1,2-dichlorobenzene 321.41
    ethyl lactate 233.52
    propylene carbonate 397.27
    n-methylformamide 347.8
    2-pentanol 1009.28
    n-pentane 221.74
    1-propoxy-2-propanol 1054.68
    1-methoxy-2-propyl acetate 1084.88
    2-(2-methoxypropoxy) propanol 633.37
    mesitylene 284.52
    ε-caprolactone 676.89
    p-cymene 186.38
    epichlorohydrin 1058.38
    1,1,1-trichloroethane 733.94
    2-aminoethanol 456.25
    morpholine-4-carbaldehyde 802.05
    sulfolane 351.81
    2,2,4-trimethylpentane 89.83
    2-methyltetrahydrofuran 1585.57
    n-hexyl acetate 619.05
    isooctane 106.07
    2-(2-butoxyethoxy)ethanol 1013.53
    sec-butyl acetate 571.83
    tert-butyl acetate 1083.6
    decalin 94.64
    glycerin 334.91
    diglyme 1680.93
    acrylic acid 211.33
    isopropyl myristate 267.89
    n-butyric acid 766.33
    acetyl acetate 645.62
    di(2-ethylhexyl) phthalate 188.22
    ethyl propionate 557.04
    nitromethane 525.66
    1,2-diethoxyethane 1285.91
    benzonitrile 378.92
    trioctyl phosphate 142.05
    1-bromopropane 710.58
    gamma-valerolactone 1115.91
    n-decanol 224.07
    triethyl phosphate 204.0
    4-methyl-2-pentanol 676.64
    propionitrile 782.55
    vinylene carbonate 382.41
    1,1,2-trichlorotrifluoroethane 535.74
    DMS 459.21
    cumene 208.8
    2-octanol 230.5
    2-hexanone 560.57
    octyl acetate 292.94
    limonene 248.4
    1,2-dimethoxyethane 1583.44
    ethyl orthosilicate 233.69
    tributyl phosphate 176.12
    diacetone alcohol 817.61
    N,N-dimethylaniline 352.34
    acrylonitrile 543.25
    aniline 603.04
    1,3-propanediol 893.38
    bromobenzene 448.79
    dibromomethane 722.56
    1,1,2,2-tetrachloroethane 846.99
    2-methyl-cyclohexyl acetate 376.47
    tetrabutyl urea 195.08
    diisobutyl methanol 314.27
    2-phenylethanol 540.47
    styrene 330.9
    dioctyl adipate 282.01
    dimethyl sulfate 217.69
    ethyl butyrate 552.97
    methyl lactate 306.83
    butyl lactate 306.84
    diethyl carbonate 349.23
    propanediol butyl ether 575.2
    triethyl orthoformate 422.26
    p-tert-butyltoluene 208.22
    methyl 4-tert-butylbenzoate 388.12
    morpholine 2497.09
    tert-butylamine 1238.24
    n-dodecanol 168.65
    dimethoxymethane 1439.19
    ethylene carbonate 420.64
    cyrene 279.6
    2-ethoxyethyl acetate 736.06
    2-ethylhexyl acetate 597.82
    1,2,4-trichlorobenzene 364.05
    4-methylpyridine 885.61
    dibutyl ether 561.68
    2,6-dimethyl-4-heptanol 314.27
    DEF 672.26
    dimethyl isosorbide 695.58
    tetrachloroethylene 519.48
    eugenol 337.63
    triacetin 505.74
    span 80 466.1
    1,4-butanediol 248.09
    1,1-dichloroethane 924.65
    2-methyl-1-pentanol 508.1
    methyl formate 212.17
    2-methyl-1-butanol 807.78
    n-decane 57.51
    butyronitrile 893.19
    3,7-dimethyl-1-octanol 395.98
    1-chlorooctane 195.95
    1-chlorotetradecane 82.48
    n-nonane 54.81
    undecane 40.84
    tert-butylcyclohexane 97.12
    cyclooctane 94.79
    cyclopentanol 569.24
    tetrahydropyran 2389.98
    tert-amyl methyl ether 1008.19
    2,5,8-trioxanonane 933.63
    1-hexene 430.39
    2-isopropoxyethanol 729.08
    2,2,2-trifluoroethanol 138.81
    methyl butyrate 586.82

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Ayou Aydendron barbeyana Mez. (Nectandra globosa Mez.), fam. Lauraceae 2.0%
Ginger (India) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.3%
Strobilanthes auriculatus Strobilanthes auriculatus, fam. Acanthaceae 0.9%
Ginger (Japan) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.4%
Ginger (China) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.9%
Ginger (China) 4 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.45%
Ginger (China) 6 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.23%
Ginger (India) 6 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.22%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 0.4%
Ginger (Australia) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.22%
Curcuma aromatica (India) 2a leaf Curcuma aromatica Salisb., fam. Zingiberaceae 0.4%
Curcuma aromatica (India) 2b rhizome Curcuma aromatica Salisb., fam. Zingiberaceae 0.2%
Turmeric (India) 5a rhizome 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 0.2%
Turmeric (India) 5b leaf 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 0.1%
Elionurus elegans aerial parts Elionurus elegans Kunth (African Pasture Grass), fam. Poaceae (Gramineae) 0.3%