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cis-2-hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one

General Material Information

Preferred name cis-2-hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
Trivial Name (4S,5R)-2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one
Short Description 2-cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl, cis
Formula C8 H12 O2
CAS Number 125476-24-6
FDA UNII Search
xLogP3-AA 1.20 (est)
NMR Predictor External link
Synonyms
  • cis-2-cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl
  • 2-cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl, cis
  • (4S,5R)-2-hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
  • (4S,5R)-2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one

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Literature & References

(4S,5R)-2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6431223
Pubchem (sid):43025158
Publications by US Patents
4,892,966 - Acetoacetic acid ester derivatives for the manufacture of .alpha.-hydroxycarbonyl compounds

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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 140.18203735352
Vapor Pressure 0.004 mmHg @ 25 °C
Flash Point TCC Value 102.8 °C TCC
logP (o/w) 0.641 est
Solubility
water, 1285 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Caramellic
sweet, maple, caramellic
General comment At 0.10 % in propylene glycol. sweet maple

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:
information only not used for fragrances or flavors
Recommendation for cis-2-hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one usage levels up to:
not for fragrance use.
Recommendation for cis-2-hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6431223
National Institute of Allergy and Infectious Diseases:Data
(4S,5R)-2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one