2-hexyl acetate
1-methylpentyl acetate
 
Notes:
None found
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CAS Number: 5953-49-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 227-716-8
Nikkaji Web: J126.497D
CoE Number: 10840
XlogP3-AA: 2.30 (est)
Molecular Weight: 144.21392000
Formula: C8 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 154.00 to  156.00 °C. @ 760.00 mm Hg
Vapor Pressure: 2.906000 mmHg @ 25.00 °C. (est)
Flash Point: 116.00 °F. TCC ( 46.67 °C. )
logP (o/w): 2.667 (est)
Soluble in:
 alcohol
 water, 356.7 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 apple  fruity  pear  sour  
Odor Description:
at 10.00 % in dipropylene glycol. 
apple fruity pear sour
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 2-hexyl acetate usage levels up to:
 not for fragrance use.
 
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 110740
National Institute of Allergy and Infectious Diseases: Data
 hexan-2-yl acetate
Chemidplus: 0005953491
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References:
Leffingwell: Chirality or Article
 hexan-2-yl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5953-49-1
Pubchem (cid): 110740
Pubchem (sid): 135067146
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
animal
 methyl (E)-2-octenoateFL/FR
fermented
 hexanal diethyl acetalFL/FR
floral
alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
 methyl citronellateFL/FR
fruity
 acetaldehyde hexyl isoamyl acetalFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 butyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
(E)-alpha-damasconeFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 methyl (Z)-4-decenoateFL/FR
2-methyl butyl butyrateFL/FR
 methyl isovalerateFL/FR
 methyl nonanoateFL/FR
 nonyl isovalerateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 propyl 2-methyl butyrateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl heptanoateFL/FR
isopropyl isovalerateFL/FR
 propyl isovalerateFL/FR
green
 butyl heptanoateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 green note propionateFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
(E)-2-hexenal propylene glycol acetalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 methyl (E)-3-hexenoateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
3-octyl formateFL/FR
(E)-2-pentenalFL/FR
 propyl tiglateFL/FR
waxy
 ethyl decanoateFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde hexyl isoamyl acetalFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
(Z)-alpha-damasconeFL/FR
9-decen-2-oneFL
 geranyl 2-methyl butyrateFL/FR
 hexanal diethyl acetalFL/FR
(E)-3-hexenalFL
(E)-2-hexenal propylene glycol acetalFL/FR
 methyl (Z)-4-decenoateFL/FR
 nonyl isovalerateFL/FR
 propyl 2-methyl butyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propyl tiglateFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
floral
 methyl citronellateFL/FR
fruity
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 butyl heptanoateFL/FR
 butyl isovalerateFL/FR
alpha-damasconeFL/FR
(E)-alpha-damasconeFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 methyl (E)-2-octenoateFL/FR
2-methyl butyl butyrateFL/FR
 methyl isovalerateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
isopropyl 2-methyl butyrateFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 green note propionateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 methyl (E)-3-hexenoateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E)-2-pentenalFL/FR
waxy
 ethyl decanoateFL/FR
3-octyl formateFL/FR
 propyl heptanoateFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 hexan-2-yl acetate
2-hexanol acetate
2-hexanol, acetate
sec-hexyl acetate
1-methyl pentyl acetate
 methylamyl acetate
1-methylpentyl acetate
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Articles:
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