2-Butyloctanoic acid

CAS Number: 27610-92-0

Molecular Formula: C12H24O2

Purity: > 98 % (by GC)

About 2-Butyloctanoic acid

2-Butyloctanoic Acid (CAS No: 32912-70-4) is undergoing a significant transition from a specialty laboratory compound to a vital, high-performance intermediate in the global personal care, industrial synthesis, and fine chemical markets, where its excellent oxidation resistance and fluid characteristics are leveraged a...

Synonyms

2-butyloctanedioic acid
2-Butyl-caprylsaeure
2-butyl-caprylic acid
ACMC-1CBFH
AC1L1QNX

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2-Butyloctanoic acid Specifications

CAS Number

27610-92-0

Molecular Formula

C12H24O2

Molecular Weight

200.32 g/mol

IUPAC Name

2-butyloctanoic acid

Canonical SMILES

CCCCCCC(CCCC)C(=O)O

InChI Key

OARDBPIZDHVTCK-UHFFFAOYSA-N

InChI

InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)

PubChem CID

33970

UNII Code

89379760R4

DSSTox Substance ID

DTXSID40884907

EINECS Number

248-570-1

MDL Number

MFCD00661074

CAS Number

27610-92-0

Molecular Formula

C12H24O2

Molecular Weight

200.32 g/mol

IUPAC Name

2-butyloctanoic acid

Canonical SMILES

CCCCCCC(CCCC)C(=O)O

InChI Key

OARDBPIZDHVTCK-UHFFFAOYSA-N

InChI

InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)

PubChem CID

33970

UNII Code

89379760R4

DSSTox Substance ID

DTXSID40884907

EINECS Number

248-570-1

MDL Number

MFCD00661074

Molecular Weight

200.32 g/mol

XLogP3

4.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

200.177630004 Da

Monoisotopic Mass

200.177630004 Da

Purity

> 98 % (by GC)

GHS Hazard Statements

H315 (70.9%): Causes skin irritation H319 (70.9%): Causes serious eye irritation H335 (70.9%): May cause respiratory irritation H412 (23.6%): Harmful to aquatic life with long lasting effects

Hazard Classes and Categories

Skin Irrit. 2 (70.9%) Eye Irrit. 2 (70.9%) STOT SE 3 (70.9%) Aquatic Chronic 3 (23.6%)

COA

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