Trimethylolpropane monoallyl ether

HCID 12683
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
682-11-1
Standard SMILES
C=CCOCC(CC)(CO)CO
InChIKey
LZDXRPVSAKWYDH-UHFFFAOYSA-N
Molecular formula
C9H18O3
Average molar mass
174.24 g/mol
Monoisotopic mass
174.12559444

Names & identifiers

Preferred name
Trimethylolpropane monoallyl ether
IUPAC
2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol
English name
Trimethylolpropane monoallyl ether
Molecular formula
C9H18O3
Molecular weight
174.24

Names & synonyms

Trimethylolpropane monoallyl ether682-11-12-Allyloxymethyl-2-ethylpropanediol1,1,1-Trimethylolpropane monoallyl etherEINECS 211-662-7UNII-112W61CL04BRN 1854856AI3-269331-Butanol, 2,2-(dihydroxymethyl)-, monoallyl ether112W61CL04ETHER, ALLYL (2,2-BIS(HYDROXYMETHYL)BUTYL)1,1,1-(TRIHYDROXYMETHYL)PROPANE MONOALLYL ETHER
Show more names
TMPMEtrimethylolpropaneallyletherTRIMETHYLOLPROPANE ALLY ETHERHEXAGLYCERINE MONOALLYL ETHER1-(Allyloxy)butane-2,2-dimethanolTriMethylolpropane Moloallyl etherTriMethylolpropane allyl ether 98%2,2-Di(hydroxymethyl)butylallyl ether
EC 211-662-7DTXSID5052674RefChem:191797DTXCID8030974Trimethylolpropane allyl ether2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diolMFCD00046753TRIMETHYLOLPROPANEMONOALLYLETHER

Database identifiers

CAS
682-11-1
PubChem CID
12683
DTXSID
DTXSID5052674
UNII
112W61CL04
EC Number
211-662-7
Nikkaji
J25.070H

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
12

Experimental & physicochemical properties

Physical DescriptionCBI
Collision Cross Section141.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5052674]

Physicochemical properties

Melting point
-10 °C · -10 °C
Boiling point
160 °C33 · 160 °C33 mm Hg(lit.)
Density
1.01 g/mL · 1.01 g/mL at 25 °C(lit.)
vapor pressure
0.035 Pa · 0.035Pa at 25℃
refractive index
20 · n20/D 1.467(lit.)
Flash point
230 °F · >230 °F

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 21.7% (140 of 646) of reports.

Warning

H315 (78.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 646 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: 1,3-Propanediol, 2-ethyl-2-[(2-propenyloxy)methyl]-

1,3-Propanediol, 2-ethyl-2-[(2-propen-1-yloxy)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-ethyl-2-[(2-propen-1-yloxy)methyl]- 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)

REACH registered substance: 2-allyloxymethyl-2-ethylpropanediol (EC: 211-662-7)

1,3-Propanediol, 2-ethyl-2-(2-propenyloxy)methyl-: 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 CategoriesSkin Irrit. 2 (78.3%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
rtecs
KM8800000
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

Paint and Coating Manufacturing

1,3-Propanediol, 2-ethyl-2-[(2-propen-1-yloxy)methyl]-: ACTIVE

Applications · 1 item

UsesTrimethylpropane monoallyl ester is an aliphatic polycarbonate, an important class of biodegradable/absorbable polymers. It possesses a wide range of physical, chemical, and biological properties, and comes in many varieties with tunable structures to meet diverse biomedical needs. Furthermore, the degradation of polycarbonates produces carbon dioxide and neutral diols, avoiding the adverse effects caused by carboxylic acids produced during the degradation of polylactic acid (PLA) and polyglycolic acid (PGA). Biodegradable polycarbonates are finding increasingly widespread applications in absorbable surgical sutures, controlled drug release, in vivo implant materials, and tissue regeneration. Trimethylpropane monoallyl ester can also be used as a pharmaceutical synthesis intermediate.

Upstream & downstream products

Suppliers70 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [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]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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