guaiyl butyrate
(3S-(3a,5a,8a))-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl butyrate
 
Notes:
None found
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CAS Number: 73003-91-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 277-213-2
FDA UNII: BXX9GGI596
Nikkaji Web: J195.365F
XlogP3-AA: 4.50 (est)
Molecular Weight: 292.46244000
Formula: C19 H32 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.99000 @  25.00 °C.
Refractive Index: 1.49500 @  25.00 °C.
Boiling Point: 315.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000016 mmHg @ 25.00 °C. (est)
Flash Point: 219.00 °F. TCC ( 103.89 °C. )
logP (o/w): 6.793 (est)
Soluble in:
 alcohol
 water, 0.009096 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: balsamic
 
Odor Strength: medium
 
 rose  plum  animal  balsamic  woody  
Odor Description:
at 100.00 %. 
rose plum animal balsamic woody
 
 
Flavor Type: fruity
 
 plum  fruity  
Taste Description:
plum
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
Recommendation for guaiyl butyrate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for guaiyl butyrate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 73003-91-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 175381
National Institute of Allergy and Infectious Diseases: Data
 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate
Chemidplus: 0073003915
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References:
 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 175381
Pubchem (sid): 135153369
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2915.60.0000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 eremophila mitchelli wood oil australiaFR
(E)-sabinene hydrateFL/FR
aldehydic
 nonanal diethyl acetalFL/FR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
 ambrene specialtyFR
 amyris wood oilFL/FR
 amyris wood oil replacerFR
 balsam fir oleoresinFL/FR
siam benzoin absoluteFL/FR
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
 benzoin resinoid replacerFR
1-benzoyl acetoneFL/FR
laevo-bornyl acetateFL/FR
 brachyleana hutchinsii wood oilFR
 callitropsis araucarioides wood oilFR
 cistus leaf oilFR
 conifer acetateFR
 copaifera reticulata extractFL/FR
 croton glabellus bark extractFL/FR
 ethyl cinnamateFL/FR
 fir balsam absolute (abies balsamea)FR
 fir needle oil canadaFL/FR
 fir needle oil terpeneless canadaFL/FR
 gurjun balsamFR
 hemlock western oil (tsuga heterophylla) canadaFR
 juniper absoluteFL/FR
 juniper berry absoluteFL/FR
 juniper berry oil CO2 extractFL/FR
 methyl hydrogenated rosinateFR
 myrrh absoluteFL/FR
 myrrh gumFL/FR
 myrrh resinFL/FR
 myrrh resinoidFR
 myrrh resinoid replacerFR
 opoponax absolute (commiphora erythraea var. glabrescens engle)FL/FR
 opoponax absolute replacerFR
 opoponax resinoid (commiphora erythraea var. glabrescens engle)FR
 opoponax resinoid replacerFR
 peru balsam absoluteFL/FR
scotch pine wood/needles resinoidFR
 pistacia lentiscus gum waterFR
 styrax specialityFR
 tolu balsam absoluteFL/FR
 tolu balsam resinFL/FR
 tolu balsam resinoidFL/FR
 valeriana wallichii root oilFR
fir needle
 abies amabilis oil canadaFR
floral
isoamyl undecylenateFL/FR
para-anisyl butyrateFL/FR
 benzyl alcoholFL/FR
 butyl benzyl etherFL/FR
 cananga oilFL/FR
 cananga oil chinaFL/FR
 citronellyl formateFL/FR
 citronellyl propionateFL/FR
beta-damascenoneFL/FR
(Z)-alpha-damasconeFL/FR
gamma-damasconeFR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocarvyl acetateFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 eucalyptus macarthurii oilFR
 farnesyl acetateFL/FR
 floral pyranFR
 gardenia pentyl acetateFR
 geranium rose-scented oil cubaFR
 geranyl acetateFL/FR
(E)-geranyl linaloolFL/FR
 globulol 
 hawthorn ethanolFR
beta-ionolFL/FR
2-methyl octanalFL/FR
 musk acetateFR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanolFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde digeranyl acetalFR
1-phenyl propyl butyrateFL/FR
 plum damasconeFR
 propyl salicylateFR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose butanoateFL/FR
laevo-rose oxideFL/FR
 styralyl propionateFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
fruity
 apple crotonateFR
 apricot isobutyrateFR
3-benzyl-4-heptanoneFL/FR
 butyl anthranilateFL/FR
 butyl formateFL/FR
(E)-alpha-damasconeFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl 4-phenyl butyrateFL/FR
 fruity butanateFR
 hexyl formateFL/FR
3-phenyl propyl isovalerateFL/FR
 plum crotonateFR
 plum damascone (high alpha)FR
 strawberry glycidate 2FL/FR
 styralyl butyrateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
isoamyl formateFL/FR
holy basil leaf oilFL/FR
isodecanalFL/FR
 galbanum absoluteFL/FR
 galbanum oilFL/FR
 galbanum oil replacerFR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
 heptyl formateFL/FR
 phenyl acetaldehydeFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
herbal
 artemisia vestita wall. leaf oilFR
 calendula officinalis flower oil CO2 extractFR
 camphor wood oil decamphorisedFR
 cananga fruit oilFR
 canarium luzonicum gumFL/FR
 chamomile absoluteFL/FR
 elemi resinoid replacerFR
 lavender oil australiaFL/FR
 marigold pot flower oilFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil africaFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil replacerFR
 rosemary oil spainFL/FR
 rosemary oil tunisiaFL/FR
green tea leaf absoluteFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
honey
 elder flower oilFR
nutty
 sesame absoluteFL/FR
 sesame absolute CO2 extractFL/FR
pine
 abies sibirica needle extractFR
white pine bark oilFL/FR
 pine specialtyFR
powdery
para-anisyl acetateFL/FR
smoky
 boswellia serrata wood tar oilFR
spicy
 cananga leaf oilFR
 cardamom oil replacerFR
 cinnamomum culilawan bark oilFR
 clove bud oilFL/FR
 clove bud oil replacerFR
 clove leaf oilFL/FR
 elettaria cardamomum seed oilFL/FR
 elettaria cardamomum seed oil guatemalaFL/FR
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
 nutmeg absoluteFL/FR
terpenic
 elemi resinoidFL/FR
 pine needle oil dwarfFL/FR
 turpentine oilFL/FR
tonka
 tonka undecanoneFR
woody
 agarwood oilFR
 agarwood oil CO2 extractFR
 agarwood oil replacerFR
 agarwood specialtyFR
 bulnesia sarmienti extractFR
 callitris columellaris wood oil australiaFR
 cedanolFR
 cedarwood acetateFR
 cedarwood oil texas fractionsFR
 cistus twig/leaf absoluteFR
 copaiba balsamFL/FR
 eremophila mitchelli wood oil CO2 extractFR
 guaiacwood oil 20% in gurjun balsam oilFR
alpha-guaieneFL/FR
 gurjun balsam oilFR
alpha-gurjuneneFR
4-hydroxybenzaldehydeFL/FR
 kaempferia galanga rhizome oilFL/FR
 patchouli oilFL/FR
 sandal cyclohexanolFR
(R)-sandal hexanolFR
 sandal hexanolFR
 sandalwood oilFL/FR
 sandalwood oil CO2 extractFL/FR
 sandalwood oil replacerFR
 sandalwood oil west australiaFL/FR
 sandalwood oil west australia (santalum spicatum)FR
 santallFR
 santalum paniculatum wood oilFR
 santalyl butyrateFL/FR
 siam wood oilFR
 vetiver oil bourbonFL/FR
 vetiver oil brazilFL/FR
 vetiver oil chinaFL/FR
 vetiver oil indiaFL/FR
 vetiverolFL/FR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
isoamyl undecylenateFL/FR
 balsam fir oleoresinFL/FR
holy basil leaf oilFL/FR
1-benzoyl acetoneFL/FR
 butyl benzyl etherFL/FR
 butyl formateFL/FR
 croton glabellus bark extractFL/FR
(Z)-alpha-damasconeFL/FR
isodecanalFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 ethyl 4-phenyl butyrateFL/FR
 fir needle oil canadaFL/FR
(E)-geranyl linaloolFL/FR
 globulol 
alpha-guaieneFL/FR
2-hexenalFL
 juniper absoluteFL/FR
 marigold pot flower oilFL/FR
2-methyl octanalFL/FR
 nonanal diethyl acetalFL/FR
1-phenyl propyl butyrateFL/FR
3-phenyl propyl isovalerateFL/FR
white pine bark oilFL/FR
(E)-sabinene hydrateFL/FR
 sandalwood oil west australiaFL/FR
 santalyl butyrateFL/FR
 turpentine oilFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-olFL/FR
beta-damasconeFL/FR
anisic
para-anisyl butyrateFL/FR
para-anisyl phenyl acetateFL/FR
balsamic
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
laevo-bornyl acetateFL/FR
 copaifera reticulata extractFL/FR
 ethyl cinnamateFL/FR
 fir needle oil terpeneless canadaFL/FR
 juniper berry absoluteFL/FR
 juniper berry oil CO2 extractFL/FR
 myrrh absoluteFL/FR
 myrrh gumFL/FR
 myrrh resinFL/FR
 opoponax absolute (commiphora erythraea var. glabrescens engle)FL/FR
 peru balsam absoluteFL/FR
 tolu balsam absoluteFL/FR
 tolu balsam resinFL/FR
 tolu balsam resinoidFL/FR
camphoreous
 kaempferia galanga rhizome oilFL/FR
 rosemary oil tunisiaFL/FR
citrus
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
creamy
4-hydroxybenzaldehydeFL/FR
fatty
 heptyl formateFL/FR
floral
 cananga oilFL/FR
 cananga oil chinaFL/FR
 citronellyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 farnesyl acetateFL/FR
beta-ionolFL/FR
 neryl acetateFL/FR
 phenethyl anthranilateFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
laevo-rose oxideFL/FR
fruity
para-anisyl acetateFL/FR
 benzyl alcoholFL/FR
3-benzyl-4-heptanoneFL/FR
 butyl anthranilateFL/FR
 citronellyl formateFL/FR
(Z)-beta-damasconeFL/FR
(E)-alpha-damasconeFL/FR
(E)-beta-damasconeFL/FR
 dimethyl anthranilateFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 methyl formateFL
 neryl isovalerateFL/FR
 rose butanoateFL/FR
 strawberry glycidate 2FL/FR
 styralyl butyrateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
green
isoamyl formateFL/FR
 canarium luzonicum gumFL/FR
 elemi resinoidFL/FR
 galbanum absoluteFL/FR
 galbanum oilFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
 geranyl acetateFL/FR
 hexyl formateFL/FR
herbal
 chamomile absoluteFL/FR
 lavender oil australiaFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil africaFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
honey
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
medicinal,
 phenethyl salicylateFL/FR
nutty
 sesame absoluteFL/FR
 sesame absolute CO2 extractFL/FR
pine
 pine needle oil dwarfFL/FR
spicy
siam benzoin absoluteFL/FR
 clove bud oilFL/FR
 clove leaf oilFL/FR
 elettaria cardamomum seed oilFL/FR
 elettaria cardamomum seed oil guatemalaFL/FR
 galangal root oleoresinFL
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
 nutmeg absoluteFL/FR
tea
green tea leaf absoluteFL/FR
waxy
 nonanolFL/FR
woody
 amyris wood oilFL/FR
 copaiba balsamFL/FR
beta-damascenoneFL/FR
 patchouli oilFL/FR
 sandalwood oilFL/FR
 sandalwood oil CO2 extractFL/FR
 vetiver oil bourbonFL/FR
 vetiver oil brazilFL/FR
 vetiver oil chinaFL/FR
 vetiver oil indiaFL/FR
 vetiverolFL/FR
 
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Potential Uses:
 animalFR
 birch tarFL/FR
 castoreumFR
 civetFR
 dateFR
 heatherFR
 leatherFR
 plumFR
 tobaccoFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 butanoic acid 1-methyl-1-((3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl) ethyl ester
 butanoic acid, 1-methyl-1-((3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl)ethyl ester
2-((3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl) propan-2-yl butanoate
2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate
 guaiol butyrate
(3S-(3alpha,5alpha,8alpha))-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl azulen-5-yl) ethyl butyrate
(3S-(3a,5a,8a))-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl butyrate
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