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Butyl benzoate - 99%, high purity , CAS No.136-60-7

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Butyl benzoate - 99%, high purity , CAS No.136-60-7

4 Citations

COA

Grade & Purity:

≥99%

Cas Number: 136-60-7
Molecular Weight: 178.23
Beilstein Registry Number: 1867073
EC Number: 205-252-7
MDL number: MFCD00009439
PubChem CID: 8698
PubChem SID: 504751718

In stock

Item Number

B110621

Grouped product items
SKU	Size	Availability	Price
B110621-25ml	25ml	4	$13.90
B110621-100ml	100ml	5	$37.90
B110621-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$113.90

Basic Description

Synonyms	CAS-136-60-7 \| Dai Cari XBN \| EINECS 205-252-7 \| HSDB 2089 \| FT-0623301 \| DTXCID6020694 \| F8880-4634 \| NCGC00163973-02 \| Benzoic Acid Butyl Ester \| Butyl benzoate, >=98% \| 1TGZ0D0O8I \| Marvanol Carrier BB \| NSC-8474 \| MFCD00009439 \| NCGC00254500-01 \| benz
Specifications & Purity	≥99%
Storage Temp	Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Benzoyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 benzoic acid esters. These are ester derivatives of benzoic acid.
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

Associated Targets(Human)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504751718
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751718
IUPAC Name	butyl benzoate
INCHI	InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey	XSIFPSYPOVKYCO-UHFFFAOYSA-N
Smiles	CCCCOC(=O)C1=CC=CC=C1
Isomeric SMILES	CCCCOC(=O)C1=CC=CC=C1
WGK Germany	2
RTECS	DG4925000
Molecular Weight	178.23
Beilstein	1867073
Reaxy-Rn	1867073
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1867073&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.

4 results found

Lot Number	Certificate Type	Date	Item
B2520043	Certificate of Analysis	Feb 21, 2025	B110621
B2310304	Certificate of Analysis	Feb 17, 2023	B110621
B2310306	Certificate of Analysis	Feb 14, 2023	B110621
D1813098	Certificate of Analysis	Feb 14, 2022	B110621

Chemical and Physical Properties

Refractive Index	1.498
Flash Point(°F)	107℃
Flash Point(°C)	107℃
Boil Point(°C)	250°C
Melt Point(°C)	-22°C
Molecular Weight	178.230 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	178.099 Da
Monoisotopic Mass	178.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	148.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Lei Qian, Shuaijun Fang, Xiyu Song, Hongfei Qian. (2023) An alternative strategy for the synthesis of disazo disperse dyes and their application on polyester fabric. DYES AND PIGMENTS, 214 (111188).
2. Jie Du, Faqiong Zhao, Baizhao Zeng. (2021) Preparation of functionalized graphene and ionic liquid co-doped polypyrrole solid phase microextraction coating for the detection of benzoates preservatives. TALANTA, 228 (122231).
3. Jinyan Sun, Xinli Tong, Zonghui Liu, Shengyun Liao, Xuli Zhuang, Song Xue. (2016) Gold-catalyzed selectivity-switchable oxidation of benzyl alcohol in the presence of molecular oxygen. CATALYSIS COMMUNICATIONS, 85 (70).
4. Youhong Ai, Mian Wu, Lulu Li, Faqiong Zhao, Baizhao Zeng. (2016) Highly selective and effective solid phase microextraction of benzoic acid esters using ionic liquid functionalized multiwalled carbon nanotubes-doped polyaniline coating. JOURNAL OF CHROMATOGRAPHY A, 1437 (1).

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