乙酰柠檬酸三丁酯

Description

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

Identification

CAS Registry Number	77-90-7
PubChem CID	6505
Molecular formula	C20H34O8
IUPAC name	tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
UNII (FDA)	0ZBX0N59RZ
FEMA number	3080
JECFA number	630

Computed Descriptors

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
Heavy Atom Count	28
Formal Charge	0

Physical & Chemical Properties

Boiling Point	331 °C at 732 mm Hg
Boiling Point	172.00 to 173.00 °C. @ 1.00 mm Hg
Boiling Point	172-174 °C (1 mm Hg)
Melting Point	-80 °C
Flash Point	204 °C
Flash Point	113 °C - closed cup
Solubility	In water, 4.49 mg/L at 20 °C
Solubility	In water, 1.7 mg/L at 25 °C
Solubility	0.005 mg/mL
Density	1.046 at 25 °C

Physical description & 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

Regulatory Status

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)

GHS Hazard Classification

GHS notification summary	98.6% (2150 / 2180)

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 ...

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of tributyl O-acetylcitrate (ATBC)?

CAS 77-90-7; molecular formula C20H34O8; molecular weight — g/mol.

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

ACETYL TRIBUTYL CITRATE, 77-90-7, tributyl 2-acetoxypropane-1,2,3-tricarboxylate, Acetyltributyl citrate, Tributyl acetylcitrate, Citroflex A.

What is the regulatory status of tributyl O-acetylcitrate (ATBC)?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is tributyl O-acetylcitrate (ATBC) classified as hazardous?

98.6% of GHS notifications report no hazard classification (2150 of 2180).

What are the key physical properties of tributyl O-acetylcitrate (ATBC)?

Boiling Point: 331 °C at 732 mm Hg; Boiling Point: 172.00 to 173.00 °C. @ 1.00 mm Hg; Boiling Point: 172-174 °C (1 mm Hg); Melting Point: -80 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.