EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

(±)-3,5-dimethyl-1-hexyn-3-ol
1-hexyn-3-ol, 3,5-dimethyl-

Supplier Sponsors

Name:3,5-dimethylhex-1-yn-3-ol
CAS Number: 107-54-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-500-9
FDA UNII: Q988C9BDWK
Nikkaji Web:J35.170I
MDL:MFCD00008941
XlogP3-AA:1.60 (est)
Molecular Weight:126.19878000
Formula:C8 H14 O
BioActivity Summary:listing
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
FDA Mainterm (IAUFC):107-54-0 ; 3,5-DIMETHYL-1-HEXYN-3-OL
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85000 to 0.86000 @ 20.00 °C.
Pounds per Gallon - (est).: 7.081 to 7.164
Refractive Index:1.43400 to 1.43600 @ 20.00 °C.
Boiling Point: 152.58 °C. @ 760.00 mm Hg (est)
Vapor Pressure:1.294000 mmHg @ 25.00 °C. (est)
Flash Point: 112.00 °F. TCC ( 44.44 °C. )
logP (o/w): 1.750 (est)
Soluble in:
 alcohol
 water, 8112 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.
3,5-Dimethyl-1-hexyn-3-ol >98.0%(GC)
Carbosynth
For experimental / research use only.
3,5-Dimethyl-1-hexyn-3-ol
Santa Cruz Biotechnology
For experimental / research use only.
(±)-3,5-Dimethyl-1-hexyn-3-ol
Sigma-Aldrich: Aldrich
For experimental / research use only.
3,5-Dimethyl-1-hexyn-3-ol 98%
TCI AMERICA
For experimental / research use only.
(±)-3,5-Dimethyl-1-hexyn-3-ol >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:
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
 
Recommendation for (±)-3,5-dimethyl-1-hexyn-3-ol 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):107-54-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61018
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3,5-dimethylhex-1-yn-3-ol
Chemidplus:0000107540
 
References:
 3,5-dimethylhex-1-yn-3-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:107-54-0
Pubchem (cid):61018
Pubchem (sid):135018297
 
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
FDA Indirect Additives used in Food Contact Substances:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.22.5050
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3,5-dimethyl hex-1-yn-3-ol
3,5-dimethyl-1-hexyn-3-ol
DL-3,5-dimethyl-1-hexyn-3-ol
3,5-dimethyl-1-hexyne-3-ol
3,5-dimethyl-hex-1-yn-3-ol
3,5-dimethylhex-1-yn-3-ol
1-hexyn-3-ol, 3,5-dimethyl-
 surfynol
 surfynol 61
 
 
Notes:
None found
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