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2-Butyloctanoic acid - 96%, high purity , CAS No.27610-92-0

COA

Grade & Purity:

≥96%

Cas Number: 27610-92-0
Molecular Weight: 200.32
EC Number: 248-570-1
MDL number: MFCD00661074
PubChem CID: 33970
PubChem SID: 488183235

In stock

Item Number

B136528

Grouped product items
SKU	Size	Availability	Price
B136528-5ml	5ml	5	$9.90
B136528-25ml	25ml	1	$32.90
B136528-100ml	100ml	2	$117.90
B136528-500ml	500ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$529.90

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Other Lipid (133)

Basic Description

Synonyms	2-Butyloctanoic acid \| 27610-92-0 \| OCTANOIC ACID, 2-BUTYL- \| butyloctanoic acid \| 5-Undecanecarboxylic acid \| 2-Butyloctansaeure \| 89379760R4 \| 2-Butyloctansaeure [German] \| EINECS 248-570-1 \| BRN 1765736 \| UNII-89379760R4 \| 2-butyl octanoic acid \| Octanoic acid,2-butyl- \| ISOCAR
Specifications & Purity	≥96%
Shipped In	Normal
Product Description	2-Butyloctanoic acid is a 2-butyl-substituted carboxylic acid.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Medium-chain fatty acids
Alternative Parents	Branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Medium-chain fatty acid - Branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488183235
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183235
IUPAC Name	2-butyloctanoic acid
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)
InChIKey	OARDBPIZDHVTCK-UHFFFAOYSA-N
Smiles	CCCCCCC(CCCC)C(=O)O
Isomeric SMILES	CCCCCCC(CCCC)C(=O)O
WGK Germany	1
RTECS	RH0368000
Molecular Weight	200.32
Reaxy-Rn	1765736
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1765736&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number	Certificate Type	Date	Item
A2411251	Certificate of Analysis	Dec 25, 2023	B136528
A2411252	Certificate of Analysis	Dec 25, 2023	B136528
A2411253	Certificate of Analysis	Dec 25, 2023	B136528
A2411254	Certificate of Analysis	Dec 25, 2023	B136528
A2411255	Certificate of Analysis	Dec 25, 2023	B136528
A2411256	Certificate of Analysis	Dec 25, 2023	B136528
E2327468	Certificate of Analysis	May 09, 2023	B136528
G2120175	Certificate of Analysis	May 09, 2023	B136528
G2120178	Certificate of Analysis	May 09, 2023	B136528
K2017053	Certificate of Analysis	Sep 16, 2022	B136528
H2026011	Certificate of Analysis	Jul 09, 2022	B136528

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Chemical and Physical Properties

Refractive Index	n20/D 1.438
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	230 °C
Molecular Weight	200.320 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	200.178 Da
Monoisotopic Mass	200.178 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	143.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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