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hydroxycitronellal / indole schiff's base
7-octen-2-ol, 8-(1H-indol-1-yl)-2,6-dimethyl-

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CAS Number: 68527-79-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:271-284-3
FDA UNII: 00NG926C95
Nikkaji Web:J309.159G
XlogP3-AA:4.20 (est)
Molecular Weight:271.40345000
Formula:C18 H25 N O
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
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
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Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 398.00 to 399.00 °C. @ 760.00 mm Hg (est)
Flash Point: 383.00 °F. TCC ( 195.00 °C. ) (est)
logP (o/w): 4.366 (est)
Soluble in:
 water, 0.7066 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
Lluch Essence
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 857, 1983.

Dermal Toxicity:
skin-guinea pig LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 857, 1983.

Inhalation Toxicity:
Not determined
Safety in Use Information:
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:
IFRA fragrance material specification:
 The IFRA Scientific Committee examined the physicochemical properties of Schiff bases and concluded that, based on the available information, these materials should be considered under contributions from other sources. By default, the stoichiometric presence of the aldehydes of the Schiff bases is taken into account assuming 100% dissociation. An indicative list of Schiff bases incorporating aldehydes covered by an IFRA Standard of restriction is reported at page 2. These Schiff bases must be taken into account for determination of the maximum use level of the respective aldehydes.
contains the following IFRA (Annex) restricted components: (non-analysis max. level reference only)
hydroxycitronellal Max. Found: 63.5 % and Reason: Sensitization
Recommendation for hydroxycitronellal / indole schiff's base 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):68527-79-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6435060
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68527-79-7
Pubchem (cid):6435060
Pubchem (sid):135010208
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
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
 hydroxycitronellal-indole (schiff base)
 hydroxycitronellylidene indol schiff base
 hydroxycitronellylidene indole schiff's base
8-(1H-indol-1-yl)-2,6-dimethyl oct-7-en-2-ol
7-octen-2-ol, 2,6-dimethyl-8-(1H-indol-1-yl)-
7-octen-2-ol, 8-(1H-indol-1-yl)-2,6-dimethyl-
None found
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