Butane, 1,1',1''-(propylidynetris(oxy))tris-

HCID 112798

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Basic information

CAS: 62042-45-9
Standard SMILES: CCCCOC(CC)(OCCCC)OCCCC
InChIKey: BQIKKNNMJKMBEQ-UHFFFAOYSA-N
Molecular formula: C15H32O3
Average molar mass: 260.41 g/mol
Monoisotopic mass: 260.23514488

Names & identifiers

Preferred name: Butane, 1,1',1''-(propylidynetris(oxy))tris-
IUPAC: 1-(1,1-dibutoxypropoxy)butane
English name: 1,1',1''-[propylidynetris(oxy)]tributane
Molecular formula: C15H32O3
Molecular weight: 260.41

Names & synonyms

Tributyl orthopropionateButane, 1,1',1''-[propylidynetris(oxy)]tris-1,1',1''-[propylidynetris(oxy)]tributaneEINECS 263-389-8DTXSID1069538Butane, 1,1',1''-(propylidynetris(oxy))tris-1,1',1''-(Propylidynetris(oxy))tributaneRefChem:570722DTXCID0043218263-389-862042-45-91-(1,1-dibutoxypropoxy)butane

Show more names

1,1,1-Tri(butyloxy)propaneTributyl orthopropionate (TBOP)

orthopropionic acid tributyl esterTributyl orthopropinateSCHEMBL7026139BQIKKNNMJKMBEQ-UHFFFAOYSA-NDB-311303NS000566311,1 inverted exclamation marka,1 inverted exclamation marka inverted exclamation marka-[Propylidynetris(oxy)]tris[butane]

Database identifiers

CAS: 62042-45-9
PubChem CID: 112798
DTXSID: DTXSID1069538
EC Number: 263-389-8
Nikkaji: J306.972I

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 13
Heavy atoms: 18
Formal charge: 0
Complexity: 145

Physicochemical properties

Boiling point: 117 · 117-117.5℃ (5 Torr)
Density: 0.8749 g/cm3 · 0.8749 g/cm3 (20℃)
refractive index: 1.42321 · 1.42321 (589.3 nm 20℃)
EPA Substance Registry System: 1 · Butane, 1,1',1''-[propylidynetris(oxy)]tris- (62042-45-9)
TSCA: TSCA listed
REACH Registrations: Inactive

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 · 3 items

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationREACH registered substance: 1,1',1''-[propylidynetris(oxy)]tributane (EC: 263-389-8)

Hazard Classes and CategoriesNot Classified

Safety data

tsca: TSCA listed
REACH Registrations: Inactive

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButane, 1,1',1''-[propylidynetris(oxy)]tris-: INACTIVE

Suppliers34 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

常州市华阳科技有限公司+8615250961469 · [email protected]

Related reactions

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Compound notes

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