Tributyl Citrate
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Basic information
- CAS
77-94-1- Standard SMILES
CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC- InChIKey
ZFOZVQLOBQUTQQ-UHFFFAOYSA-N- Molecular formula
- C18H32O7
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.21480336
Overview
Tributyl citrate is a carbonyl compound.
Names & identifiers
- Preferred name
- Tributyl Citrate
- IUPAC
- tributyl 2-hydroxypropane-1,2,3-tricarboxylate
- English name
- Tributyl citrate
- Molecular formula
- C18H32O7
- Molecular weight
- 360.44
Names & synonyms
TRIBUTYL CITRATE77-94-1Butyl citratetributyl 2-hydroxypropane-1,2,3-tricarboxylateTri-n-butyl citrateCitroflex 4Citric acid, tributyl ester1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl esterCitric Acid Tributyl EsterMorflex tbcCitroflex c 4NSC-8491
Show more names
nsc8491citroflex4Citroflex 4CTributylcitratN-BUTYLCITRATEtributyl ester
2-Hydroxy-1,2,3-propanetricarboxylic acid, tributyl esterDTXSID5051442827D5B1B6S1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester201-071-2tributyl citric acidRefChem:190909DTXCID0030039
Database identifiers
- CAS
77-94-1- PubChem CID
- 6507
- DTXSID
DTXSID5051442- ChEMBL
CHEMBL2107619- ChEBI
CHEBI:176825- UNII
- 827D5B1B6S
- EC Number
- 201-071-2
- Nikkaji
- J4.216A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
Polymers
Plastics -> Plasticisers
Plastics -> PUR; PVC (soft)
Cosmetics
Cosmetic ingredients (Tributyl Citrate) -> CIR (Cosmetic Ingredient Review)
Film forming; Solvent; Plasticiser
Plasticizers
Plasticizer
Plasticizer
Density1.05 @25 °C
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid
Colorless or light yellow odorless liquid; [Merck Index]
Collision Cross Section
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 68.4% (255 of 373) of all reports.
Danger
H318 (27.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 373 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 03-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5956
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
No adverse effects observed in 6-8-week oral study of rats at doses up to 20,000 mg/kg/day; [ToxPlanet: EC: CSTEE] Causes somnolence and vascular changes in intraperitoneal lethal-dose studies of mice (LD50 = 2,900 mg/kg); [RTECS] May cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesEye Dam. 1 (27.9%)
Safety & protection
Chemistry & industry
Uses & manufacturing
Uses
CIR ingredient: Tributyl Citrate
Used in polishes, inks, and nitrocellulose lacquers (plasticizer and solvent) and as an anti-foam agent; [Merck Index]
Painting (Solvents) [Category: Paint]
Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
Household ProductsInformation on 41 consumer products that contain Tributyl citrate in the following categories is provided:
Use Classification
Plastics -> Plasticisers
Plastics -> Polymer Type -> PUR; PVC (soft)
Cosmetics -> Film forming; Solvent; Plasticiser
General Manufacturing Information
Paint and Coating Manufacturing
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester: ACTIVE
Applications
UsesThis product is innocuous plasticizer, it can be used for granulation of non-toxic PVC, it can be used for packaging materials in food production, soft toys for children, medical products, the plasticizer for polyvinyl chloride, vinyl chloride copolymers, cellulose resin.
UsesTributyl Citrate, is a non-phthalate plasticizer, that can be used for the preparation of resins. It can also used for the synthesis of Acetyl Tributyl Cirate, a valuable biodegradable plasticizer of low toxicity, found in nail polish and other cosmetics.
Tributyl citrate can be used:To incorporate in zein film to enhance its mechanical properties for industrial processing.As a plasticizer to improve the ductile properties of poly(lactide) polymers.
Related reactions
5 records
Compound notes
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