2-methyl-2-hexenoic acid
2-hexenoic acid, 2-methyl-, (2E)-
 
Notes:
None found
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      Product(s):
      M1147 2-Methyl-2-hexenoic Acid >97.0%(GC)
       
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CAS Number: 28897-58-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 249-294-4
Nikkaji Web: J286.475D
MDL: MFCD00015855
XlogP3-AA: 2.00 (est)
Molecular Weight: 128.17104000
Formula: C7 H12 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.95700 to 0.96700 @  25.00 °C.
Pounds per Gallon - (est).: 7.963 to  8.046
Refractive Index: 1.45600 to 1.46600 @  20.00 °C.
Boiling Point: 130.00 °C. @ 20.00 mm Hg
Boiling Point: 105.00 °C. @ 5.00 mm Hg
Vapor Pressure: 0.105000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 2.095 (est)
Soluble in:
 alcohol
 water
 water, 2139 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: cheesy
 
Odor Strength: medium
 
 fruity  cheesy  
Odor Description:
at 100.00 %. 
fruity cheese
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
2-METHYL-2-HEXENOIC ACID
Odor Description: A pleasant fruity cheese aroma
Used in sour (cheesy) fruit type fragrances.
 
 
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Cosmetic Information:
None found
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Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
2-Methyl-2-hexenoic Acid
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methyl-2-hexenoic Acid
TCI AMERICA
For experimental / research use only.
2-Methyl-2-hexenoic Acid >97.0%(GC)
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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
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2-methyl-2-hexenoic acid usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Recommendation for 2-methyl-2-hexenoic acid flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 28897-58-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5282650
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3265
WGK Germany: 3
 (E)-2-methylhex-2-enoic acid
Chemidplus: 0028897587
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References:
 (E)-2-methylhex-2-enoic acid
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5282650
Pubchem (sid): 135077569
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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
Export Tariff Code: 2916.19.3000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
acidic
isobutyric acidFL/FR
 cyclohexyl acetic acidFL/FR
2-methyl butyric acidFL/FR
buttery
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
2,3-heptane dioneFL/FR
caramellic
 maltyl isobutyrateFL/FR
cheesy
 butyric acidFL/FR
2-methyl hexanoic acidFL/FR
S-(methyl thio) butyrateFL/FR
2-methyl valeric acidFL/FR
ethereal
isovaleraldehyde propylene glycol acetalFL/FR
 hexanoic acidFL/FR
 octanoic acidFL/FR
floral
 citronellyl acetateFL/FR
 phenethyl acetateFL/FR
isoamyl propionateFL/FR
 cyclohexyl carboxylic acidFL/FR
 filbert hexenoneFL/FR
 geranyl methyl tiglate 
4-heptanoneFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
 prenyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 sorbyl butyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(E)-2-hexenalFL/FR
1-penten-3-olFL/FR
herbal
 viridiflorolFL/FR
nutty
 nutty quinoxalineFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 passiflora acetateFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
waxy
2-methyl heptanoic acidFL/FR
 nonanoic acidFL/FR
2-nonanolFL/FR
 undecanoic acidFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl 3-methyl thiopropionateFL
isobutyl amineFL
 ethyl 3-octenoateFL
 ethyl cyclohexyl carboxylateFL
(E,E)-2,4-heptadien-1-olFL
(Z)-3-hexenoic acidFL
5-methyl hexanoic acidFL
4-methyl valeric acidFL
 prenyl hexanoateFL/FR
 viridiflorolFL/FR
acidic
isobutyric acidFL/FR
alliaceous
 tropical thiazoleFL/FR
buttery
2,3-heptane dioneFL/FR
2-methyl valeric acidFL/FR
(E)-2-pentenoic acidFL
cheesy
 hexanoic acidFL/FR
 methyl ketonesFL
creamy
 acetoin butyrateFL
 butyl butyryl lactateFL/FR
2-methyl-4-pentenoic acidFL
dairy
4-pentenoic acidFL
fatty
 dimethyl sulfoxideFL
 nonanoic acidFL/FR
(E)-2-octenoic acidFL
fermented
 methyl thio isovalerateFL
floral
 citronellyl acetateFL/FR
 tropical iononeFL/FR
fruity
isoamyl propionateFL/FR
 cyclohexyl carboxylic acidFL/FR
 filbert hexenoneFL/FR
 geranyl methyl tiglate 
4-heptanoneFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
2-methyl butyric acidFL/FR
 propyl isobutyrateFL/FR
 sorbyl butyrateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 cassis pentanoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(E)-2-hexenalFL/FR
1-penten-3-olFL/FR
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
meaty
2-methyl 3-(methyl thio) furanFL
musty
S-(methyl thio) butyrateFL/FR
nutty
 nutty quinoxalineFL/FR
oily
2-methyl hexanoic acidFL/FR
soapy
 octanoic acidFL/FR
sour
 butyric acidFL/FR
2,4-dimethyl-2-pentenoic acidFL
3-methyl valeric acidFL
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl 4-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
sweet
 cyclohexyl acetic acidFL/FR
toasted
 acetyl propionylFL/FR
tropical
 passiflora acetateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
2-methyl heptanoic acidFL/FR
2-nonanolFL/FR
 undecanoic acidFL/FR
 
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Potential Uses:
 cheeseFL
 fruitFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-hexenoic acid, 2-methyl-
2-hexenoic acid, 2-methyl-, (2E)-
(E)-2-methyl hex-2-enoic acid
2-methyl hex-2-enoic acid
2-methyl-2-hexenoicacid
2-methyl-2E-hexenoic acid
(2E)-2-methylhex-2-enoic acid
(E)-2-methylhex-2-enoic acid
2-methylhex-2-enoic acid
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