反式,反式粘康酸

Description

trans,trans-Muconic acid · CAS 3588-17-8 · C6H6O4. UNII 3KD92ZL2KH. Melting Point: 301 °C; Solubility: 0.2 mg/mL at 15 °C.

Identification

CAS Registry Number	3588-17-8
PubChem CID	5356793
Molecular formula	C6H6O4
IUPAC name	(2E,4E)-hexa-2,4-dienedioic acid
UNII (FDA)	3KD92ZL2KH

Computed Descriptors

Molecular Weight	142.11
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	142.02660867
Monoisotopic Mass	142.02660867
Topological Polar Surface Area	74.6
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Melting Point	301 °C
Solubility	0.2 mg/mL at 15 °C

Physical description & handling notes

• White crystalline solid; [Chem Service MSDS]
• Solid; [Merck Index] Cream or light brown powder; [Alfa Aesar MSDS]
• Solid

Regulatory Status

GHS notification summary	6% (3 / 50)

GHS Hazard Classification

GHS notification summary	6% (3 / 50)
Reported hazard statements	H315 (94%), H319 (94%), H335 (92%)

Documented Uses

• A metabolite of benzene that is reportedly a reliable indicator of occupational exposure; [ChemIDplus] t,t-Muconic acid in urine (500 ug/g creatinine at end of shift) is used as a BEI for benzene; [TLVs and BEIs]

Synonyms

MUCONIC ACID; 2,4-Hexadienedioic acid; 505-70-4; 1,3-Butadiene-1,4-dicarboxylic acid; 3KD92ZL2KH; NSC-16627; NSC-66486; CHEBI:38407; DTXSID8049674; RefChem:159971; DTXCID6031257; 208-017-7; 222-724-8; trans,trans-Muconic acid; 3588-17-8; (2E,4E)-hexa-2,4-dienedioic acid

Frequently Asked Questions

What are the CAS number and molecular formula of trans,trans-Muconic acid?

CAS 3588-17-8; molecular formula C6H6O4; molecular weight — g/mol.

What other names is trans,trans-Muconic acid known by?

MUCONIC ACID, 2,4-Hexadienedioic acid, 505-70-4, 1,3-Butadiene-1,4-dicarboxylic acid, 3KD92ZL2KH, NSC-16627.

Is trans,trans-Muconic acid classified as hazardous?

6% of GHS notifications report no hazard classification (3 of 50).

What are the key physical properties of trans,trans-Muconic acid?

Melting Point: 301 °C; Solubility: 0.2 mg/mL at 15 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.