tributyl O-acetylcitrate (ATBC)

Name: tributyl O-acetylcitrate (ATBC)
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 13547

CAS 77-90-7C20H34O8MW 402.5

tributyl O-acetylcitrate (ATBC) (CAS 77-90-7) — formula C20H34O8, molecular weight 402.5.

Specifications

CAS Number77-90-7

Molecular FormulaC20H34O8

Molecular Weight402.5

Melting Point-80 °C

Boiling Point331 °C at 732 mm Hg

LogP3.3

Purchase Profile

What this product is

tributyl O-acetylcitrate (ATBC) is a chemical compound with CAS registry number 77-90-7 and molecular formula C20H34O8 (molecular weight 402.5).

Identification

CAS number: 77-90-7

Its molecular formula C20H34O8 comprises 20 C, 34 H, 8 O atoms.

Also known as: tributyl O-acetylcitrate (ATBC) · Acetyl Tributyl Citrate

Frequently Asked Questions

What is the CAS number of tributyl O-acetylcitrate (ATBC)?

The CAS registry number of tributyl O-acetylcitrate (ATBC) is 77-90-7.

What is the molecular formula and molecular weight of tributyl O-acetylcitrate (ATBC)?

Molecular formula C20H34O8, molecular weight 402.5.

What other names is tributyl O-acetylcitrate (ATBC) known by?

It is also registered under: tributyl O-acetylcitrate (ATBC), Acetyl Tributyl Citrate.

PubChem Public Data

Public-database records for tributyl O-acetylcitrate (ATBC) (CAS 77-90-7), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	98.6% (2150 / 2180)

This chemical does not meet GHS hazard criteria for 98.6% (2150 of 2180) of all reports.

Reported as not meeting GHS hazard criteria by 2150 of 2180 companies (only 1.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Regulatory listings

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral
GHS notification summary	98.6% (2150 / 2180)

Physical description and handling notes

Dry Powder; Large Crystals; Liquid; Wet Solid; Other Solid
Colorless liquid with a mild sweet odor; [HSDB]
Liquid
colourless, slightly viscous liquid with very faint sweet herbaceous odour
Colorless liquid
Very faint sweet, herbaceous odor

Reported physical properties

沸点	331 °C at 732 mm Hg
沸点	172.00 to 173.00 °C. @ 1.00 mm Hg
沸点	172-174 °C (1 mm Hg)
熔点	-80 °C
闪点	204 °C
闪点	113 °C - closed cup
溶解度	In water, 4.49 mg/L at 20 °C
溶解度	In water, 1.7 mg/L at 25 °C
溶解度	0.005 mg/mL
密度	1.046 at 25 °C

How this substance is indexed

CAS Registry Number	77-90-7
PubChem CID	6505
分子式	C20H34O8
IUPAC 名称	tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
UNII（FDA）	0ZBX0N59RZ
FEMA 编号	3080
JECFA 编号	630

Documented uses

CIR ingredient: Acetyl Tributyl Citrate
Used as a flavoring agent and plasticizer for vinyl resins, rubber, and cellulosic resins; Also used to make resinous and polymeric coatings and paper/paperboard for use in contact with food; [HSDB]
Pulp and Paper Processing [Category: Industry]
Plasticizer (rubber, cellulosic resins)
... Use in the production of food-contact surfaces of resinous and polymeric coatings and in paper/paperboard for use in contact with fatty foods.
... /the most widely used phtahalate substitute plasticizer/ widely used in products such as food wrap, vinyl toys, and pharmaceutical excipients ...

Names this substance appears under

ACETYL TRIBUTYL CITRATE; 77-90-7; tributyl 2-acetoxypropane-1,2,3-tricarboxylate; Acetyltributyl citrate; Tributyl acetylcitrate; Citroflex A; Blo-trol; Citroflex A 4; Tributyl citrate acetate; ATBC; 2-Acetyltributylcitrate; Tributyl acetyl citrate; FEMA No. 3080; Acetylcitric acid, tributyl ester; Citric acid, tributyl ester, acetate; DTXSID2026446

Computed molecular descriptors

分子量	402.5
XLogP3	3.3
氢键供体数	0
氢键受体数	8
可旋转键数	19
精确质量	402.22536804
单同位素质量	402.22536804
拓扑极性表面积	105
重原子数	28
形式电荷	0

Database abstract

tributyl O-acetylcitrate (ATBC) · CAS 77-90-7 · C20H34O8. UNII 0ZBX0N59RZ. 沸点: 331 °C at 732 mm Hg; 沸点: 172.00 to 173.00 °C. @ 1.00 mm Hg; 沸点: 172-174 °C (1 mm Hg).

Source: PubChem / Wikidata; the batch COA governs where values differ.

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