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Benzyl Octanoate - 97%, high purity , CAS No.10276-85-4

COA

Grade & Purity:

≥97%

Cas Number: 10276-85-4
Molecular Weight: 234.34
MDL number: MFCD00048914
PubChem CID: 82511
PubChem SID: 488186104

In stock

Item Number

B405433

Grouped product items
SKU	Size	Availability	Price
B405433-5g	5g	10	$44.90
B405433-25g	25g	2	$143.90
B405433-100g	100g	1	$480.90

Basic Description

Synonyms	benzyl caprylate, AldrichCPR \| Benzyl n-octanoate \| NSC23754 \| NSC-23754 \| Q63409798 \| NSC 23754 \| AI3-30977 \| EINECS 233-620-7 \| Benzyl caprylate \| Octanoic acid, phenylmethyl ester \| FT-0622837 \| B6116 \| MFCD00048914 \| octanoic acid benzyl ester \| MWQWC
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyloxycarbonyl - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
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	488186104
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186104
IUPAC Name	benzyl octanoate
INCHI	InChI=1S/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
InChIKey	MWQWCHLIPMDVLS-UHFFFAOYSA-N
Smiles	CCCCCCCC(=O)OCC1=CC=CC=C1
Isomeric SMILES	CCCCCCCC(=O)OCC1=CC=CC=C1
Molecular Weight	234.34
Reaxy-Rn	1876959
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876959&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2324839	Certificate of Analysis	Mar 23, 2023	B405433
D2324774	Certificate of Analysis	Mar 23, 2023	B405433
D2324998	Certificate of Analysis	Mar 23, 2023	B405433
D23241000	Certificate of Analysis	Mar 23, 2023	B405433
D2324930	Certificate of Analysis	Mar 23, 2023	B405433
D2324929	Certificate of Analysis	Mar 23, 2023	B405433

Chemical and Physical Properties

Refractive Index	1.49
Flash Point(°C)	108 °C
Boil Point(°C)	112 °C/0.7 mmHg
Molecular Weight	234.330 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	234.162 Da
Monoisotopic Mass	234.162 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	195.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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