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Benzoic acid， 2-hydroxy-， 2-butyloctyl ester - ≥95%, high purity , CAS No.190085-41-7

COA

Grade & Purity:

≥95%

Cas Number: 190085-41-7
Molecular Weight: 306.4397
PubChem CID: 18319150

In stock

Item Number

B771041

Grouped product items
SKU	Size	Availability	Price
B771041-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90
B771041-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$312.90
B771041-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$832.90
B771041-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,328.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzoic acid esters
        Level6 o-Hydroxybenzoic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzoic acid esters
Direct Parent	o-Hydroxybenzoic acid esters
Alternative Parents	Salicylic acid and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy 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

INCHI	InChI=1S/C19H30O3/c1-3-5-7-8-12-16(11-6-4-2)15-22-19(21)17-13-9-10-14-18(17)20/h9-10,13-14,16,20H,3-8,11-12,15H2,1-2H3
InChIKey	CZVOIAOPRGNENY-UHFFFAOYSA-N
Smiles	CCCCCCC(CCCC)COC(=O)C1=CC=CC=C1O
Isomeric SMILES	CCCCCCC(CCCC)COC(=O)C1=CC=CC=C1O
Molecular Weight	306.4397

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	392.4±15.0°C(Predicted)
Molecular Weight	306.400 g/mol
XLogP3	7.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	306.219 Da
Monoisotopic Mass	306.219 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	290.000
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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