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neocaspirene

Chemical Structure

General Material Information

Preferred name neocaspirene
Trivial Name 10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene
Short Description 2,7-dimethyl-10-isopropyl-1-oxaspiro-3,6-decadiene
Formula C14 H22 O
CAS Number 89079-92-5
FDA UNII Search
Nikkaji Number J2.596.223K
xLogP3-AA 3.30 (est)
NMR Predictor External link
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
  • 1-oxa spiro(4.5)deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
  • 2,7-dimethyl-10-propan-2-yl-1-oxaspiro[4.5]deca-3,6-diene
  • 1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
  • 2,7-Dimethyl-10-(1-methylethyl)-1-oxaspiro[4.5]deca-3,6-diene
  • 10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene

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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):HMDB36024
FooDB:FDB014842
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 206.3285369873
Boiling Point 278 to 279°C @ 760 mm Hg
Vapor Pressure 0.007 mmHg @ 25 °C
Flash Point TCC Value 118.9 °C TCC
logP (o/w) 4.143 est
Solubility
alcohol Yes
water, 2.055 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
currant bud black currant bud, tropical, fruity
General comment At 10.00 % in dipropylene glycol. black currant tropical fruity

Safety Information

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

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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