santalyl butyrate
butanoic acid, 5-(2,3-dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-pentenyl ester
 
Notes:
None found
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CAS Number: 67633-99-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 266-801-4
Nikkaji Web: J342.638F
XlogP3-AA: 5.40 (est)
Molecular Weight: 290.44650000
Formula: C19 H30 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 80.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.96200 to 0.97000 @  25.00 °C.
Pounds per Gallon - (est).: 8.005 to  8.071
Specific Gravity: 0.96300 to 0.97100 @  20.00 °C.
Pounds per Gallon - est.: 8.022 to 8.089
Refractive Index: 1.48200 to 1.48800 @  20.00 °C.
Boiling Point: 357.00 to  358.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000028 mmHg @ 25.00 °C. (est)
Flash Point: > 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 6.418 (est)
Soluble in:
 alcohol
 water, 0.0162 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: woody
 
Odor Strength: medium
 
Substantivity: 312 hour(s) at 100.00 %
 
 woody  balsamic  fruity  rose  nutty  
Odor Description:
at 100.00 %. 		woody balsam fruity rose nutty
Luebke, William tgsc, (1989)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
 None found
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for santalyl butyrate usage levels up to:
  10.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 67633-99-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6437243
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 [(E)-5-(2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enyl] butanoate
Chemidplus: 0067633992
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References:
 [(E)-5-(2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enyl] butanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 67633-99-2
Pubchem (cid): 6437243
Pubchem (sid): 135064588
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (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
acidic
2-methyl-2-pentenoic acidFL/FR
alcoholic
 fusel oilFL/FR
anisic
para-anisyl phenyl acetateFL/FR
aromatic
 damascone carboxylateFR
balsamic
isoamyl benzoateFL/FR
 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
 benzyl cinnamateFL/FR
laevo-bornyl acetateFL/FR
 brachyleana hutchinsii wood oilFR
 butyl benzoateFL/FR
isobutyl cinnamateFL/FR
 callitropsis araucarioides wood oilFR
 cinnamyl butyrateFL/FR
(E)-cinnamyl butyrateFL/FR
 cinnamyl formateFL/FR
 cistus leaf oilFR
 conifer acetateFR
 copaifera reticulata extractFL/FR
 croton glabellus bark extractFL/FR
 ethyl cinnamateFL/FR
 fir balsam absolute (abies balsamea)FR
 fir carboxylateFR
 fir needle oil canadaFL/FR
 fir needle oil terpeneless canadaFL/FR
 guaiyl butyrateFR
 gurjun balsamFR
 hemlock western oil (tsuga heterophylla) canadaFR
 hexyl cinnamateFR
 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
 octyl benzoateFR
 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
 phenyl salicylateFR
 pine needle absoluteFL/FR
scotch pine wood/needles resinoidFR
 pistacia lentiscus gum waterFR
 prenyl benzoateFL/FR
isopropyl cinnamateFL/FR
 quercus robur oilFR
 styrax specialityFR
 terpinyl butyrateFL/FR
 tolu balsam absoluteFL/FR
 tolu balsam resinFL/FR
 tolu balsam resinoidFL/FR
 valeriana wallichii root oilFR
chocolate
 cocoa pentenalFL/FR
fatty
 hexyl pivalateFR
fir needle
 abies amabilis oil canadaFR
alpha-amyl cinnamyl acetateFL/FR
 anise indeneFR
 benzyl acetoneFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 boronia absoluteFL/FR
 cananga oilFL/FR
 cananga oil chinaFL/FR
 cassis buteneoneFR
 citronellal diisotridecyl acetalFR
 citronellyl acetateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
2-para-cresyl oxyethyl acetateFR
3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl esterFR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl linalyl acetateFR
 ethyl ortho-anisateFL/FR
 eucalyptus macarthurii oilFR
 florida breeze fragranceFR
 gardenia pentyl acetateFR
 geraniolFL/FR
 geranium oil egypt fractionsFR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 geranyl propionateFL/FR
 geranyl valerateFL/FR
beta-ionolFL/FR
beta-iononeFL/FR
 linaloe wood oil mexicoFL/FR
N-methyl iononeFR
alpha-isomethyl ionone (90% min.)FL/FR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
2-phenethyl valerateFL/FR
4-phenyl-3-buten-2-olFL/FR
 rhodinyl butyrateFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose butanoateFL/FR
 styralyl propionateFL/FR
 jasmin absolute (jasminum flexile)FR
fresh
10-undecen-1-yl acetateFL/FR
fruity
 allyl (E)-cinnamateFL/FR
 allyl cinnamateFL/FR
 allyl isononylateFR
 balsam specialtyFR
(E)-cinnamyl propionateFL/FR
 dihydroactinidolideFL/FR
(E)-ethyl tiglateFL/FR
(E,Z)-6-ethyl-5,7-dimethyl-2,5-octadien-4-oneFR
 fruity butanateFR
 geranyl butyrateFL/FR
 green acetateFR
 linalool oxide acetatesFL/FR
 octyl formateFL/FR
3-phenyl propyl isobutyrateFL/FR
(E,E)-pomaroseFR
 propyl angelate 
 thesaron (Takasago)FR
green
holy basil leaf oilFL/FR
 galbanum absoluteFL/FR
 galbanum oilFL/FR
 galbanum oil replacerFR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
 hexyl phenyl acetateFL/FR
 picea glauca leaf absoluteFR
 pinus cembra leaf twig oilFR
 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
 coriander oleoresinFL/FR
 elemi resinoid replacerFR
 florida soap fragranceFR
 geranium cyclohexaneFR
 geranyl octanoateFL/FR
 herbal undecanoneFR
 lavender oil australiaFL/FR
 linalyl formateFL/FR
 marigold pot flower oilFL/FR
 methyl cyclogeranate (Firmenich)FR
 nonisyl acetateFR
 ormenis multicaulis flower oil moroccoFR
 patchouli oil terpenesFR
beta-sesquiphellandrene 
 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
nutty
 sesame absoluteFL/FR
 sesame absolute CO2 extractFL/FR
pine
 abies sibirica needle extractFR
white pine bark oilFL/FR
 pine forest fragranceFR
 pine specialtyFR
rummy
 rum fragranceFR
smoky
 boswellia serrata wood tar oilFR
spicy
 cananga leaf oilFR
 cardamom oil replacerFR
 cinnamomum culilawan bark oilFR
 cinnamyl propionateFL/FR
 clove bud oilFL/FR
 clove bud oil replacerFR
 clove leaf oilFL/FR
N,N-diethyl octanamideFR
 elettaria cardamomum seed oilFL/FR
 elettaria cardamomum seed oil guatemalaFL/FR
 myristica fragrans fruit extractFL/FR
 myristica fragrans seed tinctureFL/FR
 myristicinFR
 nutmeg absoluteFL/FR
(E)-propyl 2-furan acrylateFL/FR
 spicy acetoacetateFL/FR
terpenic
 elemi resinoidFL/FR
 pine needle oil dwarfFL/FR
 turpentine oilFL/FR
tobacco
 honey absoluteFL/FR
tonka
 tonka undecanoneFR
waxy
 dihydrocitronellyl acetateFL/FR
 ethyl nonanoateFL/FR
 phytyl acetateFL/FR
winey
 butyl angelateFL/FR
woody
 agarwood oilFR
 agarwood oil CO2 extractFR
 agarwood specialtyFR
mountain ash fragranceFR
 bulnesia sarmienti extractFR
 callitris columellaris wood oil australiaFR
 callitris intratropica wood oil australiaFR
 cedanolFR
 cedarwood acetateFR
 cedarwood oil texas fractionsFR
 cistus twig/leaf absoluteFR
 copaiba balsamFL/FR
2-decalinyl acetateFR
 eremophila mitchelli wood oil CO2 extractFR
 guaiacwood oilFL/FR
alpha-guaieneFL/FR
 gurjun balsam oilFR
alpha-gurjuneneFR
4-hydroxybenzaldehydeFL/FR
 kaempferia galanga rhizome oilFL/FR
 myrtenyl isobutyrate 
 patchouli absoluteFR
 patchouli extract acetylatedFR
 patchouli oilFL/FR
isopinocarveol 
laevo-pinocarveol 
 sandal cyclohexanolFR
 sandal hexanolFR
(R)-sandal hexanolFR
 sandalwood fragranceFR
 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
 siam wood oilFR
2,6,10,10-tetramethyl-1-oxa-spiro[4.5]dec-3-ene-6-ol 
 vetiver oil bourbonFL/FR
 vetiver oil brazilFL/FR
 vetiver oil chinaFL/FR
 vetiver oil indiaFL/FR
 vetiverolFL/FR
 warburgia ugandensis wood oilFR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 allyl (E)-cinnamateFL/FR
 allyl cinnamateFL/FR
 balsam fir oleoresinFL/FR
holy basil leaf oilFL/FR
1-benzoyl acetoneFL/FR
 butyl angelateFL/FR
 butyl benzoateFL/FR
(E)-cinnamyl butyrateFL/FR
(E)-cinnamyl propionateFL/FR
 croton glabellus bark extractFL/FR
 dihydroactinidolideFL/FR
 dihydrocitronellyl acetateFL/FR
 ethyl ortho-anisateFL/FR
 fir needle oil canadaFL/FR
 geranyl octanoateFL/FR
 geranyl valerateFL/FR
alpha-guaieneFL/FR
 juniper absoluteFL/FR
 linaloe wood oil mexicoFL/FR
 linalool oxide acetatesFL/FR
 linalyl formateFL/FR
 marigold pot flower oilFL/FR
 myrtenyl isobutyrate 
beta-sesquiphellandrene 
2-phenethyl valerateFL/FR
 phytyl acetateFL/FR
white pine bark oilFL/FR
 pine needle absoluteFL/FR
laevo-pinocarveol 
isopinocarveol 
 prenyl benzoateFL/FR
 propyl angelate 
(E)-sabinene hydrateFL/FR
 sandalwood oil west australiaFL/FR
2,6,10,10-tetramethyl-1-oxa-spiro[4.5]dec-3-ene-6-ol 
 turpentine oilFL/FR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
siam benzoin resinFL/FR
siam benzoin resinoidFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/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 balsamFL
 peru balsam absoluteFL/FR
isopropyl cinnamateFL/FR
 tolu balsam absoluteFL/FR
 tolu balsam resinFL/FR
 tolu balsam resinoidFL/FR
burnt
 ethyl 2-furoateFL
camphoreous
 kaempferia galanga rhizome oilFL/FR
 rosemary oil tunisiaFL/FR
citrus
 petitgrain lemon oilFL/FR
 styralyl propionateFL/FR
creamy
4-hydroxybenzaldehydeFL/FR
earthy
alpha-amyl cinnamyl acetateFL/FR
floral
 cananga oilFL/FR
 cananga oil chinaFL/FR
 cinnamyl propionateFL/FR
 citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 cocoa pentenalFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
beta-ionolFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 phenethyl propionateFL/FR
 rhodinyl butyrateFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 terpinyl butyrateFL/FR
fruity
isoamyl benzoateFL/FR
 benzyl acetoneFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 boronia absoluteFL/FR
 citronellyl anthranilateFL/FR
(E)-ethyl tiglateFL/FR
 fusel oilFL/FR
 geranyl butyrateFL/FR
 hexyl phenyl acetateFL/FR
 phenethyl isovalerateFL/FR
3-phenyl propyl isobutyrateFL/FR
(E)-propyl 2-furan acrylateFL/FR
 rose butanoateFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
greasy
10-undecen-1-yl acetateFL/FR
green
 canarium luzonicum gumFL/FR
(E)-citronellyl tiglateFL/FR
 elemi resinoidFL/FR
 galbanum absoluteFL/FR
 galbanum oilFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
 geranyl formateFL/FR
 octyl formateFL/FR
herbal
 chamomile absoluteFL/FR
 coriander oleoresinFL/FR
 lavender oil australiaFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil africaFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
honey
 honey absoluteFL/FR
 phenethyl isobutyrateFL/FR
nutty
 sesame absoluteFL/FR
 sesame absolute CO2 extractFL/FR
pine
 pine needle oil dwarfFL/FR
sour
2-methyl-2-pentenoic acidFL/FR
spicy
siam benzoin absoluteFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/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
 spicy acetoacetateFL/FR
tea
green tea leaf absoluteFL/FR
waxy
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
4-phenyl-3-buten-2-olFL/FR
winey
 cinnamyl butyrateFL/FR
woody
 amyris wood oilFL/FR
 copaiba balsamFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 guaiacwood oilFL/FR
beta-iononeFL/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:
 aldehydicFR
 amberFR
 balsamFR
 mossFR
 orientalFR
 roseFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 butanoic acid 5-(2,3-dimethyl tricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-pentenyl ester
 butanoic acid, 5-(2,3-dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-pentenyl ester
5-(2,3-dimethyl tricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-yl butyrate
5-(2,3-dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methylpent-2-enyl butyrate
 santalyl butyrate
alpha-santalyl butyrate
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