3-methyl cyclohexene, 591-48-0

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CODE150651 CODE150651
Product(s):
M1034 3-Methyl-1-cyclohexene >93.0%(GC)
SDS

CAS Number:	591-48-0	3D/inchi
Other(deleted CASRN):	56688-75-6
ECHA EINECS - REACH Pre-Reg:	209-717-5
FDA UNII:	7X3KTM424G
Nikkaji Web:	J132.795J
MDL:	MFCD00001571
XlogP3-AA:	2.80 (est)
Molecular Weight:	96.17264000
Formula:	C7 H12
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
Google Books:	Search
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:

Appearance:	colorless clear liquid (est)
Assay:	97.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	103.00 °C. @ 760.00 mm Hg
Vapor Pressure:	35.974998 mmHg @ 25.00 °C. (est)
Flash Point:	40.00 °F. TCC ( 4.44 °C. )
logP (o/w):	3.454 (est)
Shelf Life:	24.00 month(s) or longer if stored properly.
Storage:	store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
	alcohol
	water, 45.39 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor Description:at 10.00 % in dipropylene glycol. citrus

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

Cosmetic Information:

None found

Suppliers:

Santa Cruz Biotechnology

For experimental / research use only.

3-Methyl-1-cyclohexene

TCI AMERICA

For experimental / research use only.

3-Methyl-1-cyclohexene >93.0%(GC)

sds

Safety Information:

Preferred SDS: View

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 3-methyl cyclohexene usage levels up to:
	not for fragrance use.

Recommendation for 3-methyl cyclohexene flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):591-48-0

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :11573

National Institute of Allergy and Infectious Diseases:Data

3-methylcyclohexene

Chemidplus:0000591480

References:

	3-methylcyclohexene
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	591-48-0
Pubchem (cid):	11573
Pubchem (sid):	134977270

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:	2902.19.0050
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

FR	abronia
FR	ash mountain ash berry
FR	bergamot
FR	calamus oil replacer
FR	cedrat
FL/FR	cilantro
FR	citronella
FR	citrus
FR	cologne
FR	colonia
FR	curacao
FR	ginger
FR	grapefruit
FR	kumquat
FR	lemon
FR	lemongrass
FR	lime
FL/FR	litsea cubeba
FR	mandarin
FR	melissa oil replacer
FR	mock orange
FL	nectarine
FR	orange
FL	orange bitter orange
FR	rhubarb
FR	tangerine
FR	verbena

Occurrence (nature, food, other):note

found in nature

Synonyms:

	cyclohexene, 3-methyl-
3-	methyl-1-cyclohexene
3-	methylcyclohexene

Articles:

PubMed:Palladium nanoparticles stabilized by alkylated polyethyleneimine as aqueous biphasic catalysts for the chemoselective stereocontrolled hydrogenation of alkenes.

PubMed:Olefin epoxidation with hydrogen peroxide catalyzed by lacunary polyoxometalate [gamma-SiW10O34H2O2]4-.

PubMed:Synthesis, structural characterization, and catalytic performance of dititanium-substituted gamma-Keggin silicotungstate.

PubMed:Secondary organic aerosol formation from the ozonolysis of cycloalkenes and related compounds.

PubMed:Expression of benzene dioxygenase from Pseudomonas putida ML2 in cis-1,2-cyclohexanediol-degrading pseudomonads.

Notes:

None found

3-methyl cyclohexene cyclohexene, 3-methyl-

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Articles:

3-methyl cyclohexene
cyclohexene, 3-methyl-