[1-(4-phenylsulfanylbenzoyl)heptylideneamino] benzoate (CAS 253585-83-0) — formula C27H27NO3S, molecular weight 445.6.
[1-(4-phenylsulfanylbenzoyl)heptylideneamino] benzoate (CAS 253585-83-0) is classified under Food Additives, with molecular formula C27H27NO3S and molecular weight 445.6, 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 [1-(4-phenylsulfanylbenzoyl)heptylideneamino] benzoate at commercial scale with stable lot-to-lot quality, accompanied by COA and full specification documentation. Typical categorization: Food Additives.
| CAS Number | 253585-83-0 |
|---|---|
| Molecular Formula | C27H27NO3S |
| Molecular Weight | 445.6 |
| LogP | 7.8 |
| Applications | General Manufacturing Information: 1, 2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime): ACTIVE |
Documented applications: General Manufacturing Information: 1, 2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime): ACTIVE.
[1-(4-phenylsulfanylbenzoyl)heptylideneamino] benzoate is a chemical compound with CAS registry number 253585-83-0 and molecular formula C27H27NO3S (molecular weight 445.6).
CAS number: 253585-83-0
Its molecular formula C27H27NO3S comprises 27 C, 27 H, 1 N, 3 O, 1 S atoms.
Also known as: [1-(4-phenylsulfanylbenzoyl)heptylideneamino] benzoate · [1-(4-苯硫基苯甲酰基)亚庚基氨基]苯甲酸酯
The CAS registry number of [1-(4-phenylsulfanylbenzoyl)heptylideneamino] benzoate is 253585-83-0.
Molecular formula C27H27NO3S, molecular weight 445.6.
It is also registered under: [1-(4-phenylsulfanylbenzoyl)heptylideneamino] benzoate, [1-(4-苯硫基苯甲酰基)亚庚基氨基]苯甲酸酯.
Recorded applications: General Manufacturing Information: 1, 2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime): ACTIVE.
Independent reference data for [1-(4-phenylsulfanylbenzoyl)heptylideneamino] benzoate (CAS 253585-83-0), compiled from public chemistry databases.
| CAS Registry Number | 253585-83-0 |
|---|---|
| PubChem CID | 167471 |
| Molecular formula | C27H27NO3S |
| IUPAC name | [[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate |
| UNII (FDA) | C27H27NO3S |
| Molecular Weight | 445.6 |
|---|---|
| XLogP3 | 7.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Exact Mass | 445.17116490 |
| Monoisotopic Mass | 445.17116490 |
| Topological Polar Surface Area | 81 |
| Heavy Atom Count | 32 |
253585-83-0; 1,2-Octanedione, 1-(4-(phenylthio)phenyl)-, 2-(O-benzoyloxime); 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime); DTXSID1074969; RefChem:216367; DTXCID1037278; 640-392-6; 1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime); [[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate; C27H27NO3S; [1-(4-phenylsulfanylbenzoyl)heptylideneamino] benzoate; SCHEMBL123398; [(E)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate; SCHEMBL28925319; SB66345; NS00077818
| Reported hazard statements | H317 (100%) |
|---|
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
[1-(4-phenylsulfanylbenzoyl)heptylideneamino] benzoate · CAS 253585-83-0 · C27H27NO3S. UNII C27H27NO3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: [1-(4-苯硫基苯甲酰基)亚庚基氨基]苯甲酸酯