2-octyl octanoate
hexanoic acid, 2-ethyl-, 2-ethylhexyl ester
 
Notes:
None found
  • BOC Sciences
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      Product(s):
      7425-14-1 Hexanoic acid,2-ethyl-, 2-ethylhexyl ester
       
  • Charkit Chemical
    • Charkit Chemical Corporation
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      about: Since 1982, Charkit has been committed to expanding the markets we serve as our roster of products and services continues to grow with us. Our substantial portfolio of personal care ingredients now include a wide array of luxury and exotic components to compliment the key products we have always offered. We have expanded our offerings to the nutraceutical, industrial, and resin markets with a growing roster of versatile and unique ingredients. We continue to lead the way in our traditional markets such as Metal and Water Treatment, Imaging, Flavor & Fragrance, Aroma and Food. Our Pharmaceutical offerings continue to expand, still anchored by the Boronic Derivatives that meet the demands of Suzuki coupling reactions. Please contact us to learn how we can help you reach your goals.
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      Product(s):
      OCTYL OCTANOATE
       
Synonyms   Articles   Notes   Search
CAS Number: 7425-14-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 231-057-1
FDA UNII: 430RJA6715
Nikkaji Web: J49.414C
Beilstein Number: 1777190
XlogP3-AA: 6.10 (est)
Molecular Weight: 256.42944000
Formula: C16 H32 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: emollients
 
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
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.85900 @  25.00 °C.
Refractive Index: 1.43500 @  20.00 °C.
Melting Point: -18.00 °C. @ 760.00 mm Hg
Boiling Point: 288.00 to  289.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 279.00 °F. TCC ( 137.10 °C. ) (est)
logP (o/w): 6.587 (est)
Soluble in:
 alcohol
 water, 0.0493 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Strength: medium
 
Odor Description:
at 100.00 %. 
fruity
Taste Description:
plum
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: skin conditioning - emollient
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Suppliers:
Alzo International
Dermol 88
BOC Sciences
For experimental / research use only.
Hexanoic acid,2-ethyl-, 2-ethylhexyl ester
Charkit Chemical
OCTYL OCTANOATE
Mosselman
2-Ethylhexyl 2-ethylhexanoate
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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:
oral-rat LD50  27000 mg/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Dermal Toxicity:
skin-rabbit LD50 > 20 ml/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: emollients
Recommendation for 2-octyl octanoate usage levels up to:
 not for fragrance use.
 
Recommendation for 2-octyl octanoate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 7425-14-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 23906
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 2-ethylhexyl 2-ethylhexanoate
Chemidplus: 0007425141
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References:
Leffingwell: Chirality or Article
 2-ethylhexyl 2-ethylhexanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7425-14-1
Pubchem (cid): 23906
Pubchem (sid): 134988161
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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): Search
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
 cherryFR
 emollients 
 plum greengage plumFL
 plum mirabelle plumFR
 tea green teaFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-ethyl hexyl 2-ethyl hexanoate
2-ethylhexanoic acid, 2-ethylhexyl ester
2-ethylhexyl 2-ethylhexanoate
 hexanoic acid, 2-ethyl-, 2-ethylhexyl ester
2-octyl caprylate
2-octyl octylate
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