Methyl 3-Mercaptobenzoate (CAS 72886-42-1) — formula C8H8O2S, molecular weight 168.21.
Methyl 3-Mercaptobenzoate (CAS 72886-42-1) is classified under Food Additives, with molecular formula C8H8O2S and molecular weight 168.21, and serves as a key raw material in the food and beverage industry — commonly applied as a food additive, nutritional supplement, or processing aid where regulatory-grade purity is required. Jinan Shenghe Chemical Co., Ltd. supplies Methyl 3-Mercaptobenzoate at commercial scale with stable lot-to-lot quality, accompanied by COA and full specification documentation. Typical categorization: Food Additives.
| CAS Number | 72886-42-1 |
|---|---|
| Molecular Formula | C8H8O2S |
| Molecular Weight | 168.21 |
| LogP | 2.4 |
Methyl 3-Mercaptobenzoate is a chemical compound with CAS registry number 72886-42-1 and molecular formula C8H8O2S (molecular weight 168.21).
CAS number: 72886-42-1
Its molecular formula C8H8O2S comprises 8 C, 8 H, 2 O, 1 S atoms.
Also known as: Methyl 3-Mercaptobenzoate · 甲基 3-巯基苯甲酸
The CAS registry number of Methyl 3-Mercaptobenzoate is 72886-42-1.
Molecular formula C8H8O2S, molecular weight 168.21.
It is also registered under: Methyl 3-Mercaptobenzoate, 甲基 3-巯基苯甲酸.
Independent reference data for Methyl 3-Mercaptobenzoate (CAS 72886-42-1), compiled from public chemistry databases.
| CAS 号 | 72886-42-1 |
|---|---|
| PubChem CID | 4362804 |
| 分子式 | C8H8O2S |
| IUPAC 名称 | methyl 3-sulfanylbenzoate |
| Molecular Weight | 168.21 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 168.02450067 |
| Monoisotopic Mass | 168.02450067 |
| Topological Polar Surface Area | 27.3 |
| Heavy Atom Count | 11 |
METHYL 3-MERCAPTOBENZOATE; 72886-42-1; DTXSID80402386; RefChem:355073; DTXCID60353241; 871-361-7; Methyl 3-sulfanylbenzoate; 3-Mercapto-benzoic Acid Methyl Ester; methyl-3-mercaptobenzoate; Methyl 3-Mercaptobenzoate, ~85%; MFCD02094279; Benzoic acid, 3-mercapto-, methyl ester; 3-Mercaptobenzoic acid methyl ester; SCHEMBL190224; SCHEMBL2486640; SRGOMBXXNIVIPR-UHFFFAOYSA-N
| 已通报的危害声明 | H302 (100%), H312 (50%), H315 (100%), H319 (100%), H332 (50%), H335 (100%) |
|---|
甲基 3-巯基苯甲酸 · CAS 72886-42-1 · C8H8O2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 甲基 3-巯基苯甲酸