trans,trans-Muconic acid (CAS 3588-17-8) — formula C6H6O4, molecular weight 142.11; category organic chemicals.
| CAS Number | 3588-17-8 |
|---|---|
| Molecular Formula | C6H6O4 |
| Molecular Weight | 142.11 |
| Melting Point | 301 °C |
| LogP | 0.2 |
| Applications | 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] |
| Category | Organic Chemicals |
Documented applications: 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].
trans,trans-Muconic acid is a carbon-based organic compound with CAS registry number 3588-17-8 and molecular formula C6H6O4 (molecular weight 142.11), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3588-17-8
Its molecular formula C6H6O4 comprises 6 C, 6 H, 4 O atoms.
Also known as: trans,trans-Muconic acid · 反式,反式粘康酸
Category: organic chemicals
The CAS registry number of trans,trans-Muconic acid is 3588-17-8.
Molecular formula C6H6O4, molecular weight 142.11.
It is also registered under: trans,trans-Muconic acid, 反式,反式粘康酸.
Recorded applications: 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].
Category: Organic Chemicals.
Independent reference data for trans,trans-Muconic acid (CAS 3588-17-8), compiled from public chemistry databases.
| CAS Registry Number | 3588-17-8 |
|---|---|
| PubChem CID | 5356793 |
| Molecular formula | C6H6O4 |
| IUPAC name | (2E,4E)-hexa-2,4-dienedioic acid |
| UNII (FDA) | 3KD92ZL2KH |
| 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 |
| Melting Point | 301 °C |
|---|---|
| Solubility | 0.2 mg/mL at 15 °C |
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
| GHS notification summary | 6% (3 / 50) |
|---|
| GHS notification summary | 6% (3 / 50) |
|---|---|
| Reported hazard statements | H315 (94%), H319 (94%), H335 (92%) |
This chemical does not meet GHS hazard criteria for 6% (3 of 50) of reports.
H315 (94%): Causes skin irritation [Warning Skin corrosion/irritation]
trans,trans-Muconic acid · CAS 3588-17-8 · C6H6O4. UNII 3KD92ZL2KH. Melting Point: 301 °C; Solubility: 0.2 mg/mL at 15 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 反式,反式粘康酸