2-hydroxy-4,4,6-trimethyl-2,5-cyclohexadien-1-one, 28750-52-9

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Name:	2-hydroxy-4,4,6-trimethylcyclohexa-2,5-dien-1-one
CAS Number:	28750-52-9	3D/inchi
FDA UNII:	Search
Nikkaji Web:	J582.495H
XlogP3-AA:	2.20 (est)
Molecular Weight:	152.19304000
Formula:	C9 H12 O2
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
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Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	274.07 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.001000 mmHg @ 25.00 °C. (est)
Flash Point:	238.00 °F. TCC ( 114.50 °C. ) (est)
logP (o/w):	1.928 (est)
Soluble in:
	water, 3755 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

None found

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:
natural substances and extractives
Recommendation for 2-hydroxy-4,4,6-trimethyl-2,5-cyclohexadien-1-one usage levels up to:
	not for fragrance use.

Recommendation for 2-hydroxy-4,4,6-trimethyl-2,5-cyclohexadien-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 :642486

National Institute of Allergy and Infectious Diseases:Data

2-hydroxy-4,4,6-trimethylcyclohexa-2,5-dien-1-one

References:

	2-hydroxy-4,4,6-trimethylcyclohexa-2,5-dien-1-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	642486
Pubchem (sid):	43764374
Pherobase:	View

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
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

saffron
Search Trop Picture

Synonyms:

2,5-	cyclohexadien-1-one, 2-hydroxy-4,4,6-trimethyl-
2-	hydroxy-4,4,6-trimethylcyclohexa-2,5-dien-1-one

Articles:

PubMed:The role of lanierone in the chemical ecology ofIps pini (Coleoptera: Scolytidae) in California.

PubMed:Lanierone: A new pheromone component fromIps pini (Coleoptera: Scolytidae) in New York.

Notes:

None found

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2-hydroxy-4,4,6-trimethyl-2,5-cyclohexadien-1-one 2,5-cyclohexadien-1-one, 2-hydroxy-4,4,6-trimethyl-

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Articles:

2-hydroxy-4,4,6-trimethyl-2,5-cyclohexadien-1-one
2,5-cyclohexadien-1-one, 2-hydroxy-4,4,6-trimethyl-