CAS 6279-86-3 Triethyl methanetricarboxylate (HCID 80471)

Names & identifiers

Preferred name: Triethyl methanetricarboxylate
IUPAC: triethyl methanetricarboxylate
English name: Triethyl methanetricarboxylate
Molecular formula: C10H16O6
Molecular weight: 232.23

Names & synonyms

Triethyl methanetricarboxylate6279-86-3Methanetricarboxylic acid, triethyl esterEINECS 228-477-2AI3-18421DTXSID502118661,1,1-triethyl methanetricarboxylateNSC 11006RefChem:899477DTXCID80134357228-477-2InChI=1/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H

Show more names

TRIETHYL CARBOXYMALONATETris(ethoxycarbonyl)methaneAURORA KA-1885Tricarboethoxymethanetris(carboethoxy)methaneTri(ethoxycarbonyl)methaneEthyl Acetate Impurity 131Diethyl (carboethoxy)malonate

2-Ethoxycarbonyl-malonic acid diethyl esterTricarbethoxymethaneMFCD00009150TriethylmethanetricarboxylateMethanetricarboxylic acid triethyl esterC10H16O6Diethyl 2-(ethoxycarbonyl)malonatediethyl 2-(ethoxycarbonyl)propane-1,3-dioate

Database identifiers

CAS: 6279-86-3
PubChem CID: 80471
DTXSID: DTXSID50211866
EC Number: 228-477-2
Nikkaji: J150.011B

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 16
Formal charge: 0
Complexity: 217

Physicochemical properties

Melting point: 25 · 25-26 °C (lit.)
Boiling point: 253 °C · 253 °C (lit.)
Density: 1.095 g/mL · 1.095 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.424(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Liquid After Melting
pka: 9.13 · 9.13±0.59(Predicted)
color: Clear colorless to yellow
Water Solubility: immiscible
BRN: 1793645 · 1793645
InChI: InChI=1S/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H3
InChIKey: AGZPNUZBDCYTBB-UHFFFAOYSA-N
SMILES: C(C(=O)OCC)(C(=O)OCC)C(=O)OCC
CAS DataBase Reference: 6279 · 6279-86-3(CAS DataBase Reference)
NIST Chemistry Reference: Triethyl methanetricarboxylate(6279-86-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
HS Code: 29171990 · 29171990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationMethanetricarboxylic acid, triethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationMethanetricarboxylic acid, triethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29171990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesTriethyl Methanetricarboxylate is used in the synthesis of novel inhibitors of Hsp90. It is also used in the preparation of novel dihydroquinoline-3-carboxylic acids that function as HIV-1 integrase i nhibitors.