Ditrimethylolpropane

HCID 90038
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Basic information

CAS
23235-61-2
Standard SMILES
CCC(CO)(CO)COCC(CC)(CO)CO
InChIKey
WMYINDVYGQKYMI-UHFFFAOYSA-N
Molecular formula
C12H26O5
Average molar mass
250.33 g/mol
Monoisotopic mass
250.17802393

Names & identifiers

Preferred name
Ditrimethylolpropane
IUPAC
2-[2,2-bis(hydroxymethyl)butoxymethyl]-2-ethylpropane-1,3-diol
English name
Di(trimethylol propane)
Molecular formula
C12H26O5
Molecular weight
250.33

Names & synonyms

23235-61-2DitrimethylolpropaneDi-TrimethylolpropaneUNII-53E6MN32Z52,2'-(oxydimethanediyl)bis(2-ethylpropane-1,3-diol)DTXSID904487953E6MN32Z5EINECS 245-509-0EC 245-509-0BISTRIMETHYLOLPROPANEDITRIMETHYLOL PROPANEDTXCID7024879
Show more names
DTMPDI-TMPDitrimethylolDi(trimethylolpropane)>Bis(trihydroxymethyl)propane3,3,4-trimethyl-1,2-dioxetanePerstorp Di-TrimethylolpropaneBis (1,1,1-trimethylolpropane)
3,3,7,7-TETRAKIS(HYDROXYMETHYL)-5-OXANONANEBIS(1,1-DIMETHYLOLPROPYL)DIMETHYL ETHER2,2'-(OXYDIMETHYLENE)BIS(2-ETHYL-1,3-PROPANEDIOL)RefChem:135225245-509-0Di(trimethylolpropane)Di(trimethylol propane)2,2'-(Oxybis(methylene))bis(2-ethylpropane-1,3-diol)

Database identifiers

CAS
23235-61-2
PubChem CID
90038
DTXSID
DTXSID9044879
ChEMBL
CHEMBL3188200
UNII
53E6MN32Z5
EC Number
245-509-0
Nikkaji
J60.718E

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
90.2 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
17

Experimental & physicochemical properties

Physical DescriptionDry Powder; CBI; Liquid
Collision Cross Section159.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9044879]

Physicochemical properties

Melting point
108 · 108-111 °C(lit.)
Boiling point
215 °C4 · 215 °C4 mm Hg(lit.)
Density
1.0187 · 1.0187 (rough estimate)
vapor pressure
0 Pa · 0Pa at 25℃
refractive index
1.456 · 1.4560 (estimate)
storage temp.
Store at room temperature

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (272 of 272) of all reports.

Not Classified

Aggregated GHS information provided per 272 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl-

1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl- 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: 17-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1913

1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29094990
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 550,000 - <700,000 lb
Consumer UsesIntermediate
Industry UsesOther
General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-ethyl-: ACTIVE

Applications · 3 items

DescriptionDi(trimethylol propane), Di-TMP, 2,2-[oxybis(methylene)]-bis(2-ethyl)-1,3-propanediol is a colorless and crystalline substance (mp 112 – 114 ℃), only slightly soluble in water at ambient temperature (2.6 g/100 g at 25 ℃).It is a byproduct of 2-ethyl-2-hydroxymethyl-1,3-propanediol (TMP) production and can be isolated from the residue of the TMP distillation step. Newer investigations show that ditrimethylolpropane can be prepared in high yield and selectivity by the reaction of TMP, formaldehyde, and 2-ethylacrolein.

UsesDi(trimethylolpropane) can be used for the synthesis of lipase catalyzed hyperbranched polymers. It can also be used in the formation of biodegradable polymers for drug delivery applications.

General DescriptionDi(trimethylolpropane) is a monomeric unit with primary hydroxyl groups, that can be used as a tetrafunctional core molecule.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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