Acetyl tributyl citrate

CAT: 0804-HY-W010981-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-W010981-01Size:5 mg

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Description

Acetyl tributyl citrate (Tributyl O-acetylcitrate; ATBC) is an alternative plasticizer[1].

CAS Number

77-90-7

Product Name Alternative

Tributyl O-acetylcitrate; ATBC

UNSPSC

12352211

Hazard Statement

H302, H315, H319, H335

Target

Biochemical Assay Reagents

Type

Reference compound

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/acetyl-tributyl-citrate.html

Purity

99.07

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(CC(C(OCCCC)=O)(OC(C)=O)CC(OCCCC)=O)OCCCC

Molecular Formula

C20H34O8

Molecular Weight

402.48

Precautions

H302, H315, H319, H335

References & Citations

[1]Andreia Alves, et al. Case Study on Screening Emerging Pollutants in Urine and Nails. Environ Sci Technol. 2017 Apr 4;51 (7) :4046-4053.

Shipping Conditions

Room Temperature

Storage Conditions

Store at room temperature 3 years

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Acetyl Tributyl Citrate

Acetyl tributyl citrate is an organooxygen compound. It is functionally related to a tetracarboxylic acid.

CAS Number	77-90-7
PubChem CID	6505
IUPAC Name	tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
Molecular Formula	C20H34O8
Molecular Weight	402.5
XLogP	3.3
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	19
Heavy Atom Count	28
Formal Charge	0
Complexity	476

SMILES

CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C

InChI

InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3

InChIKey

QZCLKYGREBVARF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77-90-7

CID: 6505

Formula: C20H34O8

MW: 402.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	402.5
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	19
Exact Mass	402.22536804
Monoisotopic Mass	402.22536804
Topological Polar Surface Area	105 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	476
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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FT61225-01	Tributyl Citrate
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Acetyl tributyl citrate

Chemical Information

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