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3,4-leerall
3,4-lyral

Supplier Sponsors

Name:3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
CAS Number: 51414-25-6Picture of molecule3D/inchi
Other(deleted CASRN):121287-35-2
ECHA EINECS - REACH Pre-Reg:257-187-9
FDA UNII: Search
Nikkaji Web:J2.596.069F
XlogP3-AA:1.70 (est)
Molecular Weight:210.31674000
Formula:C13 H22 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:fragrance agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear oily liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 317.00 to 319.00 °C. @ 760.00 mm Hg
Flash Point: 275.00 °F. TCC ( 135.00 °C. )
logP (o/w): 2.530
Soluble in:
 alcohol
 water, 184.6 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde 95%
Ernesto Ventós
LYRALDEHYDE
Odor: FLORAL, MUGUET, ALDEHYDIC, WOODY
 
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:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Critical Effect:
Dermal sensitization and systemic toxicity
 View the IFRA Standard
View IFRA Standards Library for complete information.
Please review Amendment 49 IFRA documentation for complete information.
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%):
Category 1: Products applied to the lips
0.02 %
Category 2: Products applied to the axillae
0.02 %
Category 3: Products applied to the face/body using fingertips
0.10 %
Category 4: Products related to fine fragrance
0.20 %
 Category 5: Products applied to the face and body using the hands (palms), primarily leave-on
Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on
0.20 %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
0.20 %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
0.20 %
Category 5D: Baby Creams, baby Oils and baby talc
0.067 %
Category 6: Products with oral and lip exposure
0.20 %
 Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
0.02 %
Category 7B: Leave-on products applied to the hair with some hand contact
0.02 %
Category 8: Products with significant anogenital exposure
0.067 %
Category 9: Products with body and hand exposure, primarily rinse off
0.20 %
 Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
0.20 %
Category 10B: Household aerosol/spray products
0.20 %
 Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate
Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
0.067 %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
0.067 %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
91.00 %
 Notes:
IFRA FLAVOR REQUIREMENTS:

Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

 
Recommendation for 3,4-leerall 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):51414-25-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :162105
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
Chemidplus:0051414256
 
References:
 3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:51414-25-6
Pubchem (cid):162105
Pubchem (sid):135117706
 
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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-(4-hydroxy-4-methyl pentyl) cyclohex-3-ene carbaldehyde
3-(4-hydroxy-4-methyl pentyl) cyclohex-3-ene-1-carbaldehyde
3-(4-hydroxy-4-methyl pentyl)-3-cyclohexene-1-carboxaldehyde
3-(4-hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde
3-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
3-(4-hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde
3,4-hydroxymethyl pentyl cyclohexene carbaldehyde
3,4-hydroxymethylpentylcyclohexenecarbaldehyde
3,4-kovanol
3,4-landolal
3,4-lydoucal
3,4-lyral
3,4-mugonal
 
 
Notes:
None found
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