CAS 2050-60-4 Dibutyl Oxalate (HCID 16306)

Names & identifiers

Preferred name: Dibutyl Oxalate
IUPAC: dibutyl oxalate
English name: Dibutyl oxalate
Molecular formula: C10H18O4
Molecular weight: 202.25

Names & synonyms

Dibutyl oxalate2050-60-4Di-n-butyl oxalateButyl oxalateEthanedioic acid, dibutyl esterButyl ethanedioatedibutyl ethanedioateOxalic acid, dibutyl esterEthanedioic acid, 1,2-dibutyl esterDTXSID7041916S18C168OWCNSC 8468

Show more names

DibutylOxalate>Butyl ethanedioateOxalic acid dibutylDibutyl oxalate,99%Dibutyl oxalate 99%Dibutylethanedionate

NSC-8468EINECS 218-092-8AI3-06011DTXCID5021916Oxalic acid, dibutyl ester (8CI)Dinbutyl oxalateRefChem:586527DIBUTYL OXALATE [INCI]

Database identifiers

CAS: 2050-60-4
PubChem CID: 16306
DTXSID: DTXSID7041916
ChEMBL: CHEMBL3185643
ChEBI: CHEBI:169625
UNII: S18C168OWC
EC Number: 218-092-8
Nikkaji: J47.221B

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 14
Formal charge: 0
Complexity: 157

Experimental & physicochemical properties

Boiling Point241.00 °C. @ 760.00 mm Hg

Melting Point-29 °C

Vapor Pressure0.09 [mmHg]

Physical Description · 2 items

Clear colorless liquid with a butyl-like odor; [Acros Organics MSDS]

Liquid

Kovats Retention Index1359；1319；1320；1320；1321；1359；1325

Physicochemical properties

Melting point: 29 °C · −29 °C(lit.)
Boiling point: 239 · 239-240 °C(lit.)
Density: 0.986 g/mL · 0.986 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.423(lit.)
Flash point: 228 °F · 228 °F
Water Solubility: Practically insoluble in water
solubility: Insoluble in water, soluble in alcohol and oils.
form: clear liquid
color: Colorless to Almost colorless
Odor: Faint, nondescript odor between fruity and wincy, rather pleasant but weak.
BRN: 1776065 · 1776065
Cosmetics Ingredients Functions: HAIR CONDITIONINGPLASTICISERSOLVENTCHELATING
InChI: 1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3
InChIKey: JKRZOJADNVOXPM-UHFFFAOYSA-N
SMILES: CCCCOC(=O)C(=O)OCCCC
LogP: 2.742 · 2.742 (est)
CAS DataBase Reference: 2050 · 2050-60-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1-2
FDA UNII: 18 C168OWC · S18C168OWC
NIST Chemistry Reference: Ethanedioic acid, dibutyl ester(2050-60-4)
EPA Substance Registry System: Ethanedioic acid, dibutyl ester (2050-60-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H317-H335
Precautionary statements: 501 · P501-P261-P272-P271-P264-P280-P302+P352-P362+P364-P333+P313-P304+P340+P312-P305+P351+P338+P310-P403+P233-P405
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 37 · 37/38-41-43-20/21
Safety Statements: 26 · 26-36/37/39-23
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29171190 · 29171190
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: Ethanedioic acid, dibutyl ester

Other Safety InformationIMAP assessments - Ethanedioic acid, dibutyl ester: Environment tier I assessment；IMAP assessments - Oxalate esters (C1-C4): Human health tier II assessment

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Methyl oxalate and Diethyl oxalate.

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Acute toxicity - category 4；Skin corrosion - category 1B；Specific target organ toxicity (repeated exposure) - category 2

Regulatory information

Regulatory InformationChemical: Ethanedioic acid, dibutyl ester

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29171190
risk_code: 37/38-41-43-20/21
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39-23
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H318-H317-H335
Hazard Classifications: Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P501-P261-P272-P271-P264-P280-P302+P352-P362+P364-P333+P313-P304+P340+P312-P305+P351+P338+P310-P403+P233-P405

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Use ClassificationCosmetics -> Hair conditioning; Plasticiser; Chelating

General Manufacturing InformationEthanedioic acid, 1,2-dibutyl ester: ACTIVE

Applications

UsesDibutyl oxalate has been suggested for use in perfumes as a solvent blender, but does not seem to offer advantages over odorless or low-odor solvents conventionally used.

General DescriptionThe rate of dibutyl oxalate degradation in ruminal contents from adapted and non-adapted animals was studied.