phellandral
4-isopropylcyclohexene-1-carbaldehyde
 
Notes:
None found
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CAS Number: 21391-98-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 244-355-1
FDA UNII: O55U5SW7ZR
Nikkaji Web: J16.788F
XlogP3-AA: 2.70 (est)
Molecular Weight: 152.23672000
Formula: C10 H16 O
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 222.00 to  224.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.098000 mmHg @ 25.00 °C. (est)
Flash Point: 182.00 °F. TCC ( 83.33 °C. )
logP (o/w): 3.168 (est)
Soluble in:
 alcohol
 water, 103.2 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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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: natural substances and extractives
Recommendation for phellandral usage levels up to:
 not for fragrance use.
 
Recommendation for phellandral flavor usage levels up to:
 not for flavor use.
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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 : 89488
National Institute of Allergy and Infectious Diseases: Data
 4-propan-2-ylcyclohexene-1-carbaldehyde
Chemidplus: 0021391980
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References:
 4-propan-2-ylcyclohexene-1-carbaldehyde
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 89488
Pubchem (sid): 135045785
Pherobase: View
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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): Search
FooDB: FDB014585
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
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 phellandrium aquaticum
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 sauromatum guttatum
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Synonyms:
p-menth-1-en-7-al
para-menth-1-en-7-al
4-(propan-2-yl)cyclohex-1-ene-1-carbaldehyde
4-propan-2-ylcyclohexene-1-carbaldehyde
4-isopropyl cyclohexen-1-aldehyde
4-isopropylcyclohexene-1-carbaldehyde
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