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1002-57-9

1002-57-9 Structure

1002-57-9 Structure
IdentificationMore
[Name]

8-Aminooctanoic acid
[CAS]

1002-57-9
[Synonyms]

8-AMINOCAPRYLIC ACID
8-AMINOOCTANOIC ACID
GAMMA-AMINOCAPRYLIC ACID
H-8-AMINOCAPRYLIC ACID
H-8-AMINOOCTANOIC ACID
H-AOC(8)-OH
NH2-(CH2)7-COOH
OMEGA-AMINOCAPRYLIC ACID
RARECHEM EM WB 0024
TIMTEC-BB SBB006735
Octanoic acid, 8-amino-
w-Aminocaprylic acid
OMEGA-AMINOCAPRYLIC ACID CRYSTALLINE
omega-Aminocaprylic acid, 99+%
i-aminocaprylic acid
8-amino capylic acid
8-AMINOOCTANOIC ACID PURUM 98%
[EINECS(EC#)]

213-687-9
[Molecular Formula]

C8H17NO2
[MDL Number]

MFCD00008245
[Molecular Weight]

159.23
[MOL File]

1002-57-9.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER
[Melting point ]

194 °C (dec.) (lit.)
[Boiling point ]

286.0±23.0 °C(Predicted)
[density ]

1.0500 (estimate)
[refractive index ]

1.4630 (estimate)
[storage temp. ]

Store at 0-5°C
[solubility ]

Methanol (Very Slightly), Water (Slightly)
[form ]

Crystalline Powder
[pka]

4.76±0.10(Predicted)
[color ]

White to slightly beige
[Water Solubility ]

Soluble in water.
[BRN ]

1756493
[InChI]

InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
[InChIKey]

UQXNEWQGGVUVQA-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCCCCCCN
[CAS DataBase Reference]

1002-57-9(CAS DataBase Reference)
[NIST Chemistry Reference]

8-Aminocaprylic acid(1002-57-9)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[HS Code ]

29224985
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER
[Uses]

8-Aminooctanoic acid is involved in the preparation of lactams using enzyme catalyzed aminolysis.
[Definition]

ChEBI: 8-aminooctanoic acid is an omega-amino fatty acid that is octanoic acid which carries an amino group at position 8. It has a role as a human metabolite. It is a medium-chain fatty acid and an omega-amino fatty acid.
[Synthesis]

In a 1 l flask with paddle stirrer, internal thermometer and reflux condenser, 142.6 g (1 mol) of 2-azacyclononanone and 110 g (1 mol) of about 36 wt.-% sodium hydroxide solution are boiled under reflux for 4 hours. The solution is subsequently cooled to about 80 °C and mixed with Lewatit SP-112?. After one hour, the acidic ion exchanger is filtered. 500 g of 2-Propanol is added dropwise to the mixture at 80 °C, and the homogeneous solution is slowly cooled to -5 °C. The precipitated solid is filtered and washed with 50 g of 2-propanol. After drying at 85 °C and 20 mbar, 8-Aminooctanoic acid is obtained as a fine colorless powder. A colorless powder. Yield: 127 g (80%). Melting point: 191-193 °C (Lit.: 194 °C).
8-Aminooctanoic acid synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

8-Aminooctanoic acid(1002-57-9)MS
8-Aminooctanoic acid(1002-57-9)1HNMR
8-Aminooctanoic acid(1002-57-9)IR1
8-Aminooctanoic acid(1002-57-9)IR2
8-Aminooctanoic acid(1002-57-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

omega-Aminocaprylic acid, 99+%(1002-57-9)
[Alfa Aesar]

8-Aminooctanoic acid, 99%(1002-57-9)
[Sigma Aldrich]

1002-57-9(sigmaaldrich)
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