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ChemicalBook--->CAS DataBase List--->4536-23-6

4536-23-6

4536-23-6 Structure

4536-23-6 Structure
IdentificationMore
[Name]

2-Methylhexanoic acid
[CAS]

4536-23-6
[Synonyms]

2-METHYLCAPROIC ACID
2-METHYLHEXANOIC ACID
CARBOXYLIC ACID C7
FEMA 3191
FEMA NUMBER 3191
2-Hexanecarboxylic acid
2-hexanecarboxylicacid
2-methyl-hexanoicaci
2-Methylhexansαure
alpha-Methylcaproic acid
alpha-methylcaproicacid
Caproicacid,2-methyl(DL)
Hexanoicacid,2-methyl-
Hexanoicacid,2-methyl-,(±)-
α-Methylcaproicacid
2-METHYLHEXANOIC ACID 99+%
2-Methylhexanoic acid, tech., 90+%
2-Methylhexanoicacid,98%
a-Methylcaproic acid
[EINECS(EC#)]

224-883-9
[Molecular Formula]

C7H14O2
[MDL Number]

MFCD00002674
[Molecular Weight]

130.18
[MOL File]

4536-23-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to slightly yellow liquid
[Melting point ]

-55.77°C (estimate)
[Boiling point ]

209-210 °C (lit.)
[density ]

0.918 g/mL at 25 °C(lit.)
[vapor pressure ]

0.0576 mmHg ( 25 °C)(lit.)
[FEMA ]

3191
[refractive index ]

n20/D 1.422(lit.)
[Fp ]

222 °F
[storage temp. ]

Store at 2-8°C
[solubility ]

Aqueous Base (Slightly), Chloroform (Soluble), Methanol (Slightly)
[Water Solubility ]

Soluble in water
[form ]

clear liquid
[pka]

4.82±0.21(Predicted)
[color ]

Colorless to Light yellow
[Specific Gravity]

0.916
[Odor]

at 10.00 % in dipropylene glycol. fruity cheese oily fatty lard
[biological source]

synthetic
[Odor Type]

cheesy
[JECFA Number]

265
[BRN ]

1721227
[LogP]

2.19
[CAS DataBase Reference]

4536-23-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Hexanoic acid, 2-methyl-(4536-23-6)
[EPA Substance Registry System]

4536-23-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

C
[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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

2
[RTECS ]

MO8400600
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29159080
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Tetrahydrofuran-->PETROLEUM ETHER-->Sodium chloride-->Diisopropylamine-->Propionic acid-->Sodium nitrate-->1-Bromobutane-->Hexamethylphosphoramide
[Preparation Products]

4-Methyloctanoic acid-->3-METHYL-2-HEPTANONE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methylhexanoic acid(4536-23-6).msds
Hazard InformationBack Directory
[Hazard]

A reproductive hazard.
[Description]

Synthesis: By catalytic hydrogenation of hexadien-2-carboxylic acid.
[Chemical Properties]

2-Methylhexanoic acid has a fruity odor.
[Chemical Properties]

clear colorless to slightly yellow liquid
[Occurrence]

Reported found in baked potato, grape brandy and Virginia tobacco, parmesan cheese, raw and cooked mutton, roasted lamb, cognac and black tea.
[Definition]

ChEBI: 2-methylhexanoic acid is a medium-chain fatty acid.
[Preparation]

By catalytic hydrogenation of hexadien-2-carboxylic acid.
[Aroma threshold values]

Detection: 920 ppb to 2.7 ppm. Aroma characteristics at 1.0%: acidic sour, dairy fatty with cooked lardlike nuances
[Taste threshold values]

Taste characteristics at 40 ppm: dairy, creamy fatty with an oily mouthfeel and waxy nuance.
[General Description]

2-methylhexanoic acid has been identified as one of the volatile flavor compounds in the peel and pulp of doum fruit.
[storage]

Store at 2-8°C
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylhexanoic acid(4536-23-6)MS
2-Methylhexanoic acid(4536-23-6)1HNMR
2-Methylhexanoic acid(4536-23-6)13CNMR
2-Methylhexanoic acid(4536-23-6)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methylhexanoic acid, 98%(4536-23-6)
[Alfa Aesar]

2-Methylhexanoic acid, 98%(4536-23-6)
[Sigma Aldrich]

4536-23-6(sigmaaldrich)
[TCI AMERICA]

2-Methylhexanoic Acid,>98.0%(GC)(T)(4536-23-6)
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