pinacol
2,3-butanediol, 2,3-dimethyl-

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  16-51000 PINACOL

Name: 2,3-dimethylbutane-2,3-diol CAS Number: 76-09-5 3D/inchi Other(deleted CASRN): 52400-10-9 ECHA EINECS - REACH Pre-Reg: 200-933-5 FDA UNII: 527QE7I5CO Nikkaji Web: J4.440G Beilstein Number: 1340501 MDL: MFCD00004462 XlogP3-AA: 0.10 (est) Molecular Weight: 118.17598000 Formula: C6 H14 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: white to pale yellow solid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Melting Point: 41.00 to 44.00 °C. @ 760.00 mm Hg Boiling Point: 171.00 to 172.00 °C. @ 739.00 mm Hg Vapor Pressure: 0.375000 mmHg @ 25.00 °C. (est) Flash Point: 171.00 °F. TCC ( 77.22 °C. ) logP (o/w): 0.540 Soluble in:   alcohol   water, 3.506e+004 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: woody Odor Strength:medium Substantivity:400 hour(s) at 100.00 % woody earthy patchouli warm bready Odor Description:at 100.00 %. woody earthy patchouli warm bread Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: BOC Sciences For experimental / research use only. Pinacol Penta International PINACOL Santa Cruz Biotechnology For experimental / research use only. Pinacol Sigma-Aldrich: Aldrich For experimental / research use only. Pinacol 98% sds   Safety Information: Preferred SDS: View European information : Most important hazard(s): Xi - Irritant R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.   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-mouse LD50 3380 mg/kg BEHAVIORAL: ANTICONVULSANT Food and Cosmetics Toxicology. Vol. 14, Pg. 841, 1976. 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 pinacol usage levels up to:   8.0000 % in the fragrance concentrate.   Recommendation for pinacol flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View ClinicalTrials.gov:search Daily Med:search AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):76-09-5 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :6425 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1325 WGK Germany:2 2,3-dimethylbutane-2,3-diol Chemidplus:0000076095 RTECS:EK1720000 for cas# 76-09-5   References:   2,3-dimethylbutane-2,3-diol NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 76-09-5 Pubchem (cid): 6425 Pubchem (sid): 134971385   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 CHEBI: View CHEMBL: View HMDB (The Human Metabolome Database): Search Export Tariff Code: 2905.39.5000 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View Wikipedia: View   Potential Blenders and core components note For Odor anise fennel fragrance FR balsamic iso bornyl formate FL/FR iso bornyl isobutyrate FL/FR dextro- fenchone FL/FR fir needle oil siberia FL/FR bready coffee furanone FL/FR furfural FL/FR camphoreous fenchol FL/FR laevo- fenchone FL/FR caramellic maltol FL/FR shoyu furanone FL/FR toffee furanone FL/FR citrus (E+Z)-4,8- dimethyl-3,7-nonadien-2-yl acetate FL/FR earthy (-)-alpha- fenchol FL/FR orris specialty FR pogostemon cablin leaf extract FR fermented valeraldehyde FL/FR floral bois de rose oil terpeneless FL/FR dihydro-alpha-ionone FL/FR linalool oxide FL/FR bitter orangeflower concrete morocco FR orris fragrance FR orris rhizome absolute replacer FR green iso cyclocitral (IFF) FL/FR decahydrocyclododecaoxazole FR galbanum absolute FL/FR galbanum oil FL/FR lawsonia inermis leaf oil CO2 extract FR oakmoss oil FR herbal 1- allyl-2,2,7,7-tetramethyl cycloheptanol FR arnica flower absolute FR dimethyl cyclormol (IFF) FR fir needle oil replacer FR guava leaf oil cuba FR 6- hydroxydihydrotheaspirane (mixture of isomers) FL/FR pine hexanol FR alpha- pinene FL/FR rain forest specialty FR minty dextro- carvone FL/FR mossy oakmoss absolute FL/FR oakmoss absolute color reduced FL/FR musty 2- acetyl pyrrole FL/FR nutty filbert pyrazine FL/FR 2,6- lutidine FL/FR pine cypress oil replacer FR popcorn 2- acetyl pyrazine FL/FR spicy caraway seed oleoresin FL/FR 4- carvomenthenol FL/FR ginger root oil china FL/FR terpenic cypress leaf oil FR tropical patchwood FR woody para-tert- butyl cyclohexanone FR alpha- cedrene epoxide FR cyperus root oil (cyperus scariosus) FR cypriol oil (cyperus scariosus) FR dihydro-beta-ionone FL/FR dihydro-gamma-ionone FL/FR dryopteris filix-mas oleoresin FR herbal norbornane FR delta- methyl ionone FL/FR orris hexanone FR patchouli alcohol FR patchouli ethanol FR patchouli hexanol FR terpeneless patchouli oil FL/FR patchouli oil china FL/FR pelargonium radula oil FR pogostemon cablin leaf oil FR beta- terpineol FL/FR 3(or 2),4,5- trimethyl octahydro-4,7-methanoinden-5-ol FR 1,3,5,7- undecatetraene FL/FR vetiver oil CO2 extract FL/FR vetiver oil fractions FR vetiver oil haiti FL/FR vetiver oil haiti MD FL/FR vetiveria zizanioides root oil FL/FR woody dodecane FR woody epoxide FR woody ether FR For Flavor No flavor group found for these dihydro-gamma-ionone FL/FR (E+Z)-4,8- dimethyl-3,7-nonadien-2-yl acetate FL/FR delta- methyl ionone FL/FR beta- terpineol FL/FR 1,3,5,7- undecatetraene FL/FR balsamic balsamic iso bornyl isobutyrate FL/FR fir needle oil siberia FL/FR berry dihydro-alpha-ionone FL/FR brown furfural FL/FR camphoreous (-)-alpha- fenchol FL/FR fenchol FL/FR laevo- fenchone FL/FR 6- hydroxydihydrotheaspirane (mixture of isomers) FL/FR caramellic maltol FL/FR shoyu furanone FL/FR toffee furanone FL/FR cooling 4- carvomenthenol FL/FR dextro- fenchone FL/FR floral bois de rose oil terpeneless FL/FR green iso cyclocitral (IFF) FL/FR galbanum absolute FL/FR galbanum oil FL/FR linalool oxide FL/FR oakmoss absolute FL/FR minty dextro- carvone FL/FR mossy oakmoss absolute color reduced FL/FR nutty 2- acetyl pyrrole FL/FR coffee furanone FL/FR filbert pyrazine FL/FR 2,6- lutidine FL/FR roasted 2- acetyl pyrazine FL/FR spicy caraway seed oleoresin FL/FR ginger root oil china FL/FR winey valeraldehyde FL/FR woody iso bornyl formate FL/FR dihydro-beta-ionone FL/FR terpeneless patchouli oil FL/FR patchouli oil china FL/FR alpha- pinene FL/FR vetiver oil CO2 extract FL/FR vetiver oil haiti FL/FR vetiver oil haiti MD FL/FR vetiveria zizanioides root oil FL/FR   Potential Uses: FL bread FR earth FR incense FR patchouli FR spice FR woody   Occurrence (nature, food, other):note   milk skim milk powder Search PMC Picture   Synonyms:   butane-2,3-diol, 2,3-dimethyl- 2,3- butanediol, 2,3-dimethyl- 2,3- dimethyl butane-2,3-diol 2,3- dimethyl-2,3-butane diol 2,3- dimethyl-2,3-butanediol 2,3- dimethyl-butane-2,3-diol 2,3- dimethylbutane-2,3-diol   pinacone   tetramethyl ethylene glycol 1,1,2,2- tetramethyl ethylene glycol   tetramethylethylene glycol   Articles:   None found yet. Try the PubMed Search.

Notes: None found