2-hexadecanone
methyl tetradecyl ketone

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  18787-63-8 2-Hexadecanone

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  Penta International Corporation

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CAS Number: 18787-63-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 242-571-0 FDA UNII: LW5WI8V19D Nikkaji Web: J73.681C Beilstein Number: 1769889 MDL: MFCD00042873 XlogP3: 6.80 (est) Molecular Weight: 240.43024000 Formula: C16 H32 O NMR Predictor: Predict (works with chrome, Edge or firefox) Category:natural substances and extractives   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 Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search   Physical Properties: Assay: 96.00 to 100.00 Food Chemicals Codex Listed: No Melting Point: 43.00 to 45.00 °C. @ 760.00 mm Hg Boiling Point: 317.00 to 318.00 °C. @ 760.00 mm Hg Boiling Point: 138.00 to 140.00 °C. @ 2.00 mm Hg Vapor Pressure: 0.000362 mmHg @ 25.00 °C. (est) Flash Point: 235.00 °F. TCC ( 112.78 °C. ) logP (o/w): 6.582 (est) Soluble in:   alcohol   water, 0.1497 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Description:at 100.00 %. fruity Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 2-Hexadecanone Carbosynth For experimental / research use only. 2-Hexadecanone Penta International 2-HEXADECANONE Santa Cruz Biotechnology For experimental / research use only. 2-Hexadecanone Sigma-Aldrich: Aldrich For experimental / research use only. 2-hexadecanone 98% sds   Safety Information: Preferred SDS: View European information : Most important hazard(s): None - None found. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.   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: unreported-mouse LD50 1750 mg/kg Journal of Medicinal Chemistry. Vol. 19, Pg. 219, 1976. Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: natural substances and extractives Recommendation for 2-hexadecanone usage levels up to:   not for fragrance use.   Recommendation for 2-hexadecanone flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :29251 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 hexadecan-2-one Chemidplus:0018787638 RTECS:MM0300000 for cas# 18787-63-8   References:   hexadecan-2-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 29251 Pubchem (sid): 134993227 Flavornet: 18787-63-8   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 CHEMBL: View HMDB (The Human Metabolome Database): HMDB31052 FooDB: FDB003052 Export Tariff Code: 2914.19.0000 Typical G.C. VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   hop Search Trop Picture   rue oil cuba @ 0.36% Data GC Search Trop Picture   xylopia aromatica (lam.) mart. leaf oil cuba @ 1.00% Data GC Search Trop Picture   Synonyms:   hexadecan-2-one   ketone, methyl tetradecyl   methyl tetradecyl ketone   Articles:   None found yet. Try the PubMed Search.

Notes: Isol. from hop oil (Humulus lupulus)