EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-hexyl acetate
1-methylpentyl acetate

Sponsors

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:
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
 
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 mm/Hg @ 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
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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: flavoring agents
Recommendation for 2-hexyl acetate usage levels up to:
 not for fragrance use.
 
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
propyl 2-methyl butyrate
FL/FR
animal
animal
methyl (E)-2-octenoate
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
(Z)-alpha-
damascone
FL/FR
alpha-
damascone
FL/FR
methyl citronellate
FL/FR
fruity
acetaldehyde hexyl isoamyl acetal
FL/FR
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
butyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
(E)-alpha-
damascone
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
geranyl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
methyl (Z)-4-decenoate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl nonanoate
FL/FR
nonyl isovalerate
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl heptanoate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
green
butyl heptanoate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
(E)-2-
hexenal propylene glycol acetal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
methyl (E)-3-hexenoate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
3-
octyl formate
FL/FR
(E)-2-
pentenal
FL/FR
propyl tiglate
FL/FR
waxy
ethyl decanoate
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
For Flavor
No flavor group found for these
acetaldehyde hexyl isoamyl acetal
FL/FR
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
(Z)-alpha-
damascone
FL/FR
9-
decen-2-one
FL
geranyl 2-methyl butyrate
FL/FR
hexanal diethyl acetal
FL/FR
(E)-3-
hexenal
FL
(E)-2-
hexenal propylene glycol acetal
FL/FR
methyl (Z)-4-decenoate
FL/FR
nonyl isovalerate
FL/FR
propyl 2-methyl butyrate
FL/FR
propyl isovalerate
FL/FR
iso
propyl isovalerate
FL/FR
propyl tiglate
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
floral
floral
methyl citronellate
FL/FR
fruity
apple ketal
FL/FR
benzyl isovalerate
FL/FR
butyl heptanoate
FL/FR
butyl isovalerate
FL/FR
alpha-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
methyl (E)-2-octenoate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl isovalerate
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E)-2-
pentenal
FL/FR
waxy
ethyl decanoate
FL/FR
3-
octyl formate
FL/FR
propyl heptanoate
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 hexan-2-yl acetate
2-hexanol acetate
2-hexanol, acetate
sec-hexyl acetate
1-methyl pentyl acetate
 methylamyl acetate
1-methylpentyl acetate
 

Articles:

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Notes:
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