neocaspirene
2,7-dimethyl-10-isopropyl-1-oxaspiro-3,6-decadiene
 
Notes:
Fragrance ingredient with a blackcurrant-like aroma
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Fragrance Demo Formulas
CAS Number: 89079-92-5Picture of molecule3D/inchi
Nikkaji Web: J2.596.223K
XlogP3-AA: 3.30 (est)
Molecular Weight: 206.32854000
Formula: C14 H22 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 278.00 to  279.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.007000 mmHg @ 25.00 °C. (est)
Flash Point: 246.00 °F. TCC ( 118.90 °C. ) (est)
logP (o/w): 4.143 (est)
Soluble in:
 alcohol
 water, 2.055 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: high ,
recommend smelling in a 10.00 % solution or less
 
 currant bud black currant bud  tropical  fruity  
Odor Description:
at 10.00 % in dipropylene glycol. 
black currant tropical fruity
 
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:
 
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
 
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 89079-92-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 20268659
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 2,7-dimethyl-10-propan-2-yl-1-oxaspiro[4.5]deca-3,6-diene
Chemidplus: 0089079925
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References:
 2,7-dimethyl-10-propan-2-yl-1-oxaspiro[4.5]deca-3,6-diene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 89079-92-5
Pubchem (cid): 20268659
Pubchem (sid): 135267351
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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): HMDB36024
FooDB: FDB014842
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
isopropyl cinnamateFL/FR
berry
 berry fragranceFR
 blueberry fragranceFR
 blueberry specialtyFR
caramellic
 strawberry furanone acetateFL/FR
citrus
 grapefruit specialtyFR
ethereal
isopropyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
floral
 acetal 318FR
para-anisyl butyrateFL/FR
 blue lagoon fragranceFR
 cassis specialtyFR
black currant bud concreteFL/FR
 damascateFR
 ethyl linalyl acetateFR
isoeugenyl ethyl acetalFR
 frangipani specialtyFR
 hibiscus fragranceFR
alpha-iononeFL/FR
 iris specialtyFR
 phenethyl acetateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 rose butanoateFL/FR
 styralyl isobutyrateFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
 almond specialtyFR
 apple pear fragranceFR
 apricot peach fragranceFR
 apricot specialtyFR
isobutyl isobutyrateFL/FR
 butyl isobutyrateFL/FR
2-isobutyl-5-methyl thiazole 
wild cherry fragranceFR
 ethyl (Z)-4-heptenoateFL/FR
 fruit fragranceFR
 geranyl methyl tiglate 
 heptyl butyrateFL/FR
 kiwi specialtyFR
 lychee fragranceFR
 methyl cyclohexyl acetateFR
 papaya fragranceFR
 papaya specialtyFR
 passion fruit fragranceFR
 peach cyclopentanoneFR
 strawberry furanone butyrateFL/FR
 tropical fruit specialtyFR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 galbanum specialtyFR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexen-1-yl oxypropane nitrileFR
 hexyl hexanoateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
2,2,4-trimethyl-1,3-oxathiane 
herbal
 barosma betulina leaf oilFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 viridiflorolFL/FR
spicy
 bubble gum fragranceFR
 buchu mercaptanFL/FR
 lychee mercaptan acetateFL/FR
 passiflora acetateFL/FR
S-tropical 2-thiobutyrateFL/FR
4-tropical oxathianeFL/FR
tropical
cis-galbanum oxathianeFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
3-nonen-4-olideFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 pina colada fragranceFR
 triflaige A (ZEON)FR
 tropical 3-thiobutyrateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
2-isobutyl-5-methyl thiazole 
S-(2,5-dimethyl-3-furyl) ethane thioateFL
 ethyl 2-(methyl thio) acetateFL
 methyl 2-(methyl thio) acetateFL
(E)-6-methyl-3-hepten-2-oneFL/FR
3-nonen-4-olideFL/FR
S-prenyl thioisobutyrateFL
S-prenyl thioisovalerateFL
 sorbyl propionateFL
 styralyl isobutyrateFL/FR
2,2,4-trimethyl-1,3-oxathiane 
S-tropical 2-thiobutyrateFL/FR
 viridiflorolFL/FR
 allyl thiohexanoateFL
anisic
para-anisyl butyrateFL/FR
balsamic
isopropyl cinnamateFL/FR
caramellic
 strawberry furanone acetateFL/FR
cheesy
 methyl ketonesFL
creamy
 triacetinFL
floral
alpha-iononeFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
isobutyl isobutyrateFL/FR
 butyl isobutyrateFL/FR
black currant bud concreteFL/FR
 ethyl (Z)-4-heptenoateFL/FR
 geranyl methyl tiglate 
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hexyl hexanoateFL/FR
3-mercaptohexyl hexanoateFL
 passion fruit distillatesFL
isopropyl formateFL/FR
 rose butanoateFL/FR
 strawberry furanone butyrateFL/FR
4-tropical oxathianeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
cis-galbanum oxathianeFL/FR
 heptanal dimethyl acetalFL/FR
 heptyl butyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 barosma betulina leaf oilFL/FR
 buchu oil fractionsFL
honey
 phenethyl acetateFL/FR
juicy
 lychee mercaptan acetateFL/FR
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
 anacardium occidentale fruit pureeFL
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
vegetable
2-octen-4-oneFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2,7-dimethyl-10-(1'-methylethyl)-1- 6.0 6.0-oxaspiro[4.5]deca-3,6-diene
2,7-dimethyl-10-(1-methyl ethyl)-1-oxaspiro(4.5)deca-3,6-diene
2,7-dimethyl-10-isopropyl-1-oxaspiro-3,6-decadiene
 neocaspirene
1-oxaspiro(4.5)deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
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