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1,2,3,6-tetrahydrobenzaldehyde
3-cyclohexene-1-carboxaldehyde

Supplier Sponsors

Name:cyclohex-3-ene-1-carbaldehyde
CAS Number: 100-50-5Picture of molecule3D/inchi
Other(deleted CASRN):84049-08-1
ECHA EINECS - REACH Pre-Reg:202-858-3
FDA UNII: GAK9539347
Nikkaji Web:J24.543G
Beilstein Number:0774001
MDL:MFCD00001572
XlogP3-AA:1.20 (est)
Molecular Weight:110.15590000
Formula:C7 H10 O
BioActivity Summary:listing
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
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96800 to 0.97400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.064 to 8.114
Refractive Index:1.47100 to 1.47300 @ 20.00 °C.
Melting Point: 2.00 °C. @ 760.00 mm Hg
Boiling Point: 105.00 °C. @ 760.00 mm Hg
Vapor Pressure:30.100000 mmHg @ 25.00 °C. (est)
Flash Point: 135.00 °F. TCC ( 57.22 °C. )
logP (o/w): 1.590 (est)
Soluble in:
 water, 2649 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Jiangyin Healthway
3-Cyclohexene-1-Carboxaldehyde
New functional food ingredients
Santa Cruz Biotechnology
For experimental / research use only.
3-Cyclohexene-1-carboxaldehyde
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Cyclohexene-1-carboxaldehyde 97%
TCI AMERICA
For experimental / research use only.
3-Cyclohexene-1-carboxaldehyde >98.0%(GC)
 
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:
oral-rat LD50 2460 uL/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Dermal Toxicity:
skin-rabbit LD50 1300 uL/kg
BLOOD: HEMORRHAGE SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0535072

Inhalation Toxicity:
inhalation-rat LC50 2000 ppm/4H
"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 276, 1986.

 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 1,2,3,6-tetrahydrobenzaldehyde usage levels up to:
 not for fragrance use.
 
Recommendation for 1,2,3,6-tetrahydrobenzaldehyde 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):100-50-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7508
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
cyclohex-3-ene-1-carbaldehyde
Chemidplus:0000100505
EPA/NOAA CAMEO:hazardous materials
RTECS:GW2800000 for cas# 100-50-5
 
References:
 cyclohex-3-ene-1-carbaldehyde
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7508
Pubchem (sid):134972705
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2912.29.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 adenosma capitatum
Search Trop Picture
 limnophila aromatica
Search Trop Picture
 
Synonyms:
 cyclohex-3-ene-1-carbaldehyde
3-cyclohexene-1-carbaldehyde
3-cyclohexene-1-carboxaldehyde
1,2,3,6-tetrahyrobenzaldehyde
 

Articles:

PubMed:Application of PurpaldĀ® for determination of 3-cyclohexene-1-carboxaldehyde and hydroxyisohexyl 3-cyclohexene carboxaldehyde.
PubMed:Thermophilic enzymes and their applications in biocatalysis: a robust aldo-keto reductase.
PubMed:Total synthesis of the immunosuppressant FR901483 via an amidoacrolein cycloaddition.
PubMed:Synthesis of affinity ligands and radioactive probes for isolation and study of myo-inositol 1,4,5-trisphosphate binding proteins.
PubMed:Sensory irritation response to inhaled aldehydes after formaldehyde pretreatment.
 
Notes:
None found
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