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628-46-6

628-46-6 Structure

628-46-6 Structure
IdentificationMore
[Name]

5-METHYLHEXANOIC ACID
[CAS]

628-46-6
[Synonyms]

5-METHYLCAPROIC ACID
5-METHYLHEXANOIC ACID
FEMA 3572
FEMA NUMBER 3572
ISOAMYLACETIC ACID
ISOHEPTANOIC ACID
5-methyl-hexanoicaci
5-methylhexylicacid
Hexanoic acid, 5-methyl-
Hexanoicacid,5-methyl-
isoenanthicacid
δ-methylcarproic acid
isoheptylic acid
[Molecular Formula]

C7H14O2
[MDL Number]

MFCD00036494
[Molecular Weight]

130.18
[MOL File]

628-46-6.mol
Chemical PropertiesBack Directory
[Melting point ]

-55.77°C (estimate)
[Boiling point ]

216°C
[density ]

0,91 g/cm3
[FEMA ]

3572
[Fp ]

>100°C
[refractive index ]

1.4220
[pka]

4.78±0.10(Predicted)
[Odor]

at 10.00 % in propylene glycol. fatty cheese oily fruity
[Odor Type]

fatty
[Water Solubility ]

Slightly soluble in water.
[JECFA Number]

266
[LogP]

2.19
[CAS DataBase Reference]

628-46-6(CAS DataBase Reference)
[EPA Substance Registry System]

Hexanoic acid, 5-methyl- (628-46-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3265
[RTECS ]

MO8400900
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

2915907098
Hazard InformationBack Directory
[Hazard]

A reproductive hazard.
[Description]

5-Methylhexanoic acid has a fermented cheese odor.
[Chemical Properties]

5-Methylhexanoic acid has a fermented cheese odor.
[Occurrence]

Reported found in heated pork, strawberry, tea, mango and babaco fruit (Carica pentagona Heilborn)
[Uses]

Ion-exclusion chromatographic separations of C1-C6 aliphatic carboxylic acids on a sulfonated styrene-divinylbenzene co-polymer resin column, high sensitive conductimetric detection is achieved with 5-methylhexanoic acid as eluent.
[Definition]

ChEBI: 5-methyl-hexanoic acid is a medium-chain fatty acid.
[Aroma threshold values]

Detection: 4.6 to 27 ppm
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Methylhexanoic acid, 98%(628-46-6)
[TCI AMERICA]

5-Methylhexanoic Acid,>98.0%(GC)(T)(628-46-6)
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