CAS 26326-05-6 3-Butene-1,2,3-tricarboxylic acid (HCID 592363)

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Basic information

CAS: 26326-05-6
Standard SMILES: C=C(C(=O)O)C(CC(=O)O)C(=O)O
InChIKey: WOZHZOLFFPSEAM-UHFFFAOYSA-N
Molecular formula: C7H8O6
Average molar mass: 188.13 g/mol
Monoisotopic mass: 188.03208798

Overview

3-butene-1,2,3-tricarboxylic acid is a carbonyl compound.

Names & identifiers

Preferred name: 3-Butene-1,2,3-tricarboxylic acid
IUPAC: but-3-ene-1,2,3-tricarboxylic acid
English name: 3-BUTENE-1,2,3-TRICARBOXYLIC ACID
Molecular formula: C7H8O6
Molecular weight: 188.13

Names & synonyms

26326-05-63-Butene-1,2,3-tricarboxylic acidEINECS 247-612-6DTXSID20897136RefChem:499467DTXCID901326563247-612-6but-3-ene-1,2,3-tricarboxylic acid3-Butene-1,2,3-tricarboxylicacidMFCD000143441-Butene-2,3,4-Tricarboxylic Acid1-methylidenepropane-1,2,3-tricarboxylic acid

Show more names

3,4-Dicarboxy-4-pentenoicacid1-butene-2,3,4-tricarboxylic acid ester3-(CARBOXYMETHYL)-2-METHYLENEPENTANEDIOIC ACID

SCHEMBL78919CHEBI:189183HMS1668M07but-3-ene-1,2,3-tricarboxylicacidBBL036652CCG-48325AKOS027320962VS-13608

Database identifiers

CAS: 26326-05-6
PubChem CID: 592363
DTXSID: DTXSID20897136
ChEBI: CHEBI:189183
EC Number: 247-612-6
Nikkaji: J36.619F

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 112 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 266

Physicochemical properties

Melting point: 177 °C · 177 °C
CAS DataBase Reference: 26326 · 26326-05-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2916399090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P