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pinacol
General Material Information
| Preferred name | pinacol |
| Trivial Name | Pinacol |
| Short Description | 2,3-butanediol, 2,3-dimethyl- |
| Formula | C6 H14 O2 |
| CAS Number | 76-09-5 |
| Deleted CAS Number | 52400-10-9 |
| ECHA Number | 200-933-5 |
| FDA UNII | 527QE7I5CO |
| Nikkaji Number | J4.440G |
| Beilstein Number | 1340501 |
| MDL | MFCD00004462 |
| xLogP3-AA | 0.10 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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 |
Suppliers
| BOC Sciences | Penta International |
| Santa Cruz Biotechnology | Sigma-Aldrich: Aldrich |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 118.17597961426 |
| Melting Point | 41 to 44°C @ 760 mm Hg |
| Boiling Point | 171 to 172°C @ 739 mm Hg |
| Vapor Pressure | 0.375 mmHg @ 25 °C |
| Flash Point TCC Value | 77.22 °C TCC |
| logP (o/w) | 0.54 |
| Solubility | |
| alcohol | Yes |
| water, 3.506e+004 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Woody | |
| woody, earthy, patchouli, warm, bready | |
| Odor strength | medium |
| Substantivity | 400 hour(s) at 100.00 % |
| General comment | At 100.00 %. woody earthy patchouli warm bread |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Earth , Incense , Patchouli , Spice , Woody |
| Flavoring purposes | Bread |
| Cosmetic purposes | Perfuming agents |
Safety Information
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 |