3-heptyl acetate
(+/-)heptan-3-yl acetate

Supplier Sponsors

• 
  Alfrebro LLC/ Archer Daniels Midland Company

  Let's get reacquainted
  Building great taste with aroma chemicals, extracts, and distillates
  The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals.
  Email:	Sarah Forbis
  Email:	Sales
  Voice: 513-539-3021
  Fax: 513-539-7372
  US Voice: 513-539-7373
  Newsroom
  CODE158423 CODE158423
  Product(s):
  3-HEPTYL ACETATE NATURAL

• 
  Penta International Corporation

  Chemistry innovation
  At Penta, our products and services help businesses do business better.
  For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
  US Email:	Technical Services
  US Email:	Sales
  US Voice: (973) 740-2300
  US Fax: (973) 740-1839
  CODE158423 CODE158423
  Product(s):
  08-08450 3-HEPTANOL ACETATE
  08-08455 3-HEPTANOL ACETATE NATURAL

• 
  Sigma-Aldrich

  Complete Supply Chain
  The perfect blend of products and services that bring your creativity to life.
  Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards.
  Email:	Information
  US Email:	Sales
  US Voice: 800-244-1173
  US Fax: 800-368-4661
  Facebook
  Twitter
  Instagram
  Linkedin
  Flavors and Fragrances Analysis
  FandF Newsletter Subscription
  Flavors and Fragrances Learning Center
  Certified Food Grade Products
  CODE158423 CODE158423
  Product(s):
  W398000 3-Heptyl Acetate natural (US), ≥96%, FG
  SDS

Name: heptan-3-yl acetate CAS Number: 5921-83-5 3D/inchi FDA UNII: 79AS95G5J0 Nikkaji Web: J261.061B MDL: MFCD28404775 XlogP3-AA: 2.90 (est) Molecular Weight: 158.24086000 Formula: C9 H18 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: Racemate. Register name to be changed to 3-Heptyl acetate. Category:flavoring 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 JECFA Food Flavoring: 1143 (+/-)heptan-3-yl acetate DG SANTE Food Flavourings: 09.924 3-heptyl acetate FEMA Number: 3980 (+/-)heptan-3-yl acetate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 5921-83-5 ; 3-HEPTYL ACETATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.85800 to 0.86700 @ 25.00 °C. Pounds per Gallon - (est).: 7.139 to 7.214 Refractive Index: 1.40600 to 1.41400 @ 20.00 °C. Boiling Point: 185.00 °C. @ 760.00 mm Hg Acid Value: 2.00 max. KOH/g Vapor Pressure: 1.090000 mmHg @ 25.00 °C. (est) Flash Point: 138.00 °F. TCC ( 58.89 °C. ) logP (o/w): 3.181 (est) Soluble in:   alcohol   water, 117.8 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: floral sweet floral rose pear Odor Description:at 100.00 %. sweet floral rose pear Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Alfrebro 3-HEPTYL ACETATE NATURAL Odor: Rose, Pear, Sweet, Floral Parchem 3-heptyl acetate Penta International 3-HEPTANOL ACETATE NATURAL Penta International 3-HEPTANOL ACETATE Sigma-Aldrich 3-Heptyl Acetate natural (US), ≥96%, FG sds Certified Food Grade Products   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: flavoring agents Recommendation for 3-heptyl acetate usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (μg/capita/day) Threshold of Concern: 1800 (μg/person/day) Structure Class: I Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library publication number: 20 Click here to view publication 20   average usual ppm average maximum ppm baked goods: 8.00000 16.00000 beverages(nonalcoholic): 5.00000 10.00000 beverages(alcoholic): 5.00000 10.00000 breakfast cereal: - - cheese: - - chewing gum: 25.00000 50.00000 condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 6.00000 12.00000 fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 7.00000 14.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: 3.00000 6.00000 soft candy: 7.00000 14.00000 soups: - - sugar substitutes: - - sweet sauces: - -   Safety References: European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... European Food Safety Authority (EFSA) reference(s): Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 (2012) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 View page or View pdf 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 :537615 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 heptan-3-yl acetate Chemidplus:0005921835   References: Leffingwell: Chirality or Article   heptan-3-yl acetate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 537615 Pubchem (sid): 135336794   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 Substances Added to Food (formerly EAFUS): View HMDB (The Human Metabolome Database): HMDB32309 FooDB: FDB009555 ChemSpider: View   Potential Blenders and core components note For Odor aldehydic nonanal diethyl acetal FL/FR chocolate iso amyl phenyl acetate FL/FR floral iso amyl undecylenate FL/FR benzyl alcohol FL/FR laevo- citronellol FL/FR citronellyl anthranilate FL/FR (Z)-alpha- damascone FL/FR farnesyl acetate FL/FR geranium oil egypt FL/FR geranium oil terpeneless FL/FR geranium petiole oil india FL/FR geranium rose oil FL/FR geranyl acetate FL/FR (E)- geranyl linalool FL/FR hexyl 2-furoate FL/FR 2- methyl octanal FL/FR neryl acetate FL/FR neryl isovalerate FL/FR nonanol FL/FR octyl isovalerate FL/FR phenethyl alcohol FL/FR phenethyl anthranilate FL/FR phenethyl heptanoate FL/FR phenethyl lactate FL/FR phenethyl salicylate FL/FR rhodinol substitues FL/FR rhodinyl acetate substitutes FL/FR rose absolute (rosa centifolia) FL/FR rose absolute (rosa centifolia) morocco FL/FR rose absolute (rosa damascena) bulgaria FL/FR rose absolute (rosa damascena) turkey FL/FR rose butanoate FL/FR rose oil (rosa centifolia) egypt FL/FR rose oil (rosa damascena) bulgaria FL/FR rose oil (rosa damascena) iran FL/FR rose oil (rosa damascena) turkey FL/FR 2- undecen-1-ol FL/FR (E)-2- undecen-1-ol FL/FR fruity (E)-alpha- damascone FL/FR green iso decanal FL/FR phenyl acetaldehyde dimethyl acetal FL/FR herbal laevo- menthyl propionate FL/FR rose oil (rosa centifolia) morocco FL/FR powdery para- anisyl alcohol FL/FR For Flavor No flavor group found for these iso amyl undecylenate FL/FR (Z)-alpha- damascone FL/FR iso decanal FL/FR (E)- geranyl linalool FL/FR laevo- menthyl propionate FL/FR 2- methyl octanal FL/FR nonanal diethyl acetal FL/FR octyl isovalerate FL/FR phenethyl heptanoate FL/FR phenethyl lactate FL/FR rhodinyl acetate substitutes FL/FR 2- undecen-1-ol FL/FR (E)-2- undecen-1-ol FL/FR berry berry rhodinol substitues FL/FR floral iso amyl phenyl acetate FL/FR laevo- citronellol FL/FR farnesyl acetate FL/FR geranium oil egypt FL/FR geranium oil terpeneless FL/FR geranium petiole oil india FL/FR geranium rose oil FL/FR neryl acetate FL/FR phenethyl alcohol FL/FR phenethyl anthranilate FL/FR rose absolute (rosa centifolia) FL/FR rose absolute (rosa centifolia) morocco FL/FR rose absolute (rosa damascena) bulgaria FL/FR rose absolute (rosa damascena) turkey FL/FR rose oil (rosa centifolia) egypt FL/FR rose oil (rosa damascena) bulgaria FL/FR rose oil (rosa damascena) iran FL/FR rose oil (rosa damascena) turkey FL/FR fruity para- anisyl alcohol FL/FR benzyl alcohol FL/FR citronellyl anthranilate FL/FR (E)-alpha- damascone FL/FR neryl isovalerate FL/FR rose butanoate FL/FR green geranyl acetate FL/FR hexyl 2-furoate FL/FR phenyl acetaldehyde dimethyl acetal FL/FR herbal rose oil (rosa centifolia) morocco FL/FR medicinal, phenethyl salicylate FL/FR waxy nonanol FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms:   acetic acid 3-heptanyl ester   acetic acid, 3-heptanyl ester 1- ethyl pentyl acetate 1- ethylpentyl acetate   heptan-3-yl acetate (+/-) heptan-3-yl acetate (±)- heptan-3-yl acetate 3- heptanol acetate 3- heptanol, acetate (±)-3- heptanyl acetate   Articles:   None found yet. Try the PubMed Search.

Notes: Used as a food additive [EAFUS]