isooctyl acetate
1-heptanol, 6-methyl-, acetate

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  CODE138178 CODE138178
  Product(s):
  31565-19-2 isoOctyl Acetate

CAS Number: 31565-19-2 3D/inchi ECHA EINECS - REACH Pre-Reg: 250-701-2 FDA UNII: Search XlogP3: 3.70 (est) Molecular Weight: 172.26780000 Formula: C10 H20 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: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 195.00 to 196.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.413000 mmHg @ 25.00 °C. (est) Flash Point: 171.00 °F. TCC ( 77.22 °C. ) logP (o/w): 3.686 (est) Soluble in:   alcohol   water, 38.59 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Type: fruity sweet estery fruity Odor Description:at 100.00 %. sweet estery fruity Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. isoOctyl Acetate   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   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 isooctyl acetate 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):31565-19-2 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :169321 National Institute of Allergy and Infectious Diseases:Data 6-methylheptyl acetate Chemidplus:0031565192 EPA/NOAA CAMEO:hazardous materials   References:   6-methylheptyl acetate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 169321 Pubchem (sid): 135126435   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): HMDB32070 FooDB: FDB008780 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor balsamic phenyl salicylate FR chemical iso butyl formate FL/FR earthy methyl 3-hexenoate FL/FR floral (Z)-4- decen-1-yl acetate FL/FR beta- ionone FL/FR rose undecene FR tea acetate FR tuberose acetate FR fruity amyl hexanoate FL/FR iso amyl hexanoate FL/FR cyclohexyl crotonate FR 2- nonanone FL/FR iso propenyl acetate FL/FR propyl butyrate FL/FR iso propyl butyrate FL/FR tropical indene FR green acetaldehyde benzyl 2-methoxyethyl acetal FL/FR green carboxylate FR (Z)-3- hexen-1-yl acetate FL/FR 3- hexenyl 2-methyl butyrate FL/FR hexoxyacetaldehyde dimethyl acetal FR herbal marigold oil mexico FL/FR musk musk decanolide FR vanilla vanilla oleoresin bourbon FL/FR waxy iso amyl decanoate FL/FR For Flavor No flavor group found for these acetaldehyde benzyl 2-methoxyethyl acetal FL/FR (Z)-4- decen-1-yl acetate FL/FR cheesy cheesy 2- nonanone FL/FR ethereal iso propenyl acetate FL/FR fruity iso amyl hexanoate FL/FR amyl hexanoate FL/FR methyl 3-hexenoate FL/FR iso propyl butyrate FL/FR propyl butyrate FL/FR green (Z)-3- hexen-1-yl acetate FL/FR 3- hexenyl 2-methyl butyrate FL/FR herbal marigold oil mexico FL/FR rummy iso butyl formate FL/FR vanilla vanilla oleoresin bourbon FL/FR waxy iso amyl decanoate FL/FR woody beta- ionone FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   pummelo Search Trop Picture   Synonyms:   acetic acid 6-methylheptyl ester   acetic acid isooctyl ester   acetic acid, isooctyl ester 1- heptanol, 6-methyl-, acetate 6- methylheptyl acetate iso octanol acetate iso octanol, acetate   Articles:   None found yet. Try the PubMed Search.

Notes: Fruit food flavouring. Trace component of pummelo (Citrus grandis) oil and cheese aroma