Crocin（CAS 42553-65-1）：分子式 C44H64O24、分子量 977.0；类别 染料及颜料。
| CAS号 | 42553-65-1 |
|---|---|
| 分子式 | C44H64O24 |
| 分子量 | 977.0 |
| 熔点 | 186 °C |
| LogP | -2.5 |
| 应用领域 | Uses: Crocin dyes、isolated from Gardenia jasminodes... the crocin dyes are safe for coloring foods.、Crocin dyes、Laboratory reagent、Di-gentiobiose ester、MEDICATION、Use Classification: Food Additives -> COLOUR、Food Additives -> -> JECFA Functional Classes、Methods of Manufacturing: ...total crocin was extracted from saffron stigmas using crystallization method. Ethanol 80% was selected as the best extraction solvent. Crystallization process was carried out in one and two steps at different temperatures. Ethanol 80% was used as crystallization medium. Crocin crystals obtained from the first crystallization had low purity and thus were subjected to the second crystallization. The higher purity crystals were yielded in the second crystallization at -5 degrees C.、Impurities: ...the Fluka product was not a pure alpha-crocin sample、five other types of crocins in addition to an unknown impurity were seen in its chromatogram.、General Manufacturing Information: Polyene-type colorant、Crocetin ... (CI Natural Yellow 6、CI 75100) occurs in saffron as crocin (42553-65-1) |
| 类别 | Colorants |
登记用途：Uses: Crocin dyes、isolated from Gardenia jasminodes... the crocin dyes are safe for coloring foods.、Crocin dyes、Laboratory reagent、Di-gentiobiose ester、MEDICATION、Use Classification: Food Additives -> COLOUR、Food Additives -> -> JECFA Functional Classes、Methods of Manufacturing: ...total crocin was extracted from saffron stigmas using crystallization method. Ethanol 80% was selected as the best extraction solvent. Crystallization process was carried out in one and two steps at different temperatures. Ethanol 80% was used as crystallization medium. Crocin crystals obtained from the first crystallization had low purity and thus were subjected to the second crystallization. The higher purity crystals were yielded in the second crystallization at -5 degrees C.、Impurities: ...the Fluka product was not a pure alpha-crocin sample、five other types of crocins in addition to an unknown impurity were seen in its chromatogram.、General Manufacturing Information: Polyene-type colorant、Crocetin ... (CI Natural Yellow 6、CI 75100) occurs in saffron as crocin (42553-65-1)。
Crocin 是一种着色或颜料类化合物，登记 CAS 号为 42553-65-1，分子式 C44H64O24（分子量 977.0），归属于染料及颜料大类化工原料。
登记 CAS 号：42553-65-1
其分子式 C44H64O24 由 44 个碳、64 个氢、24 个氧 组成。
别名/同义词：Crocin · Gardenia Yellow
所属分类：染料及颜料
Crocin 的 CAS 登记号为 42553-65-1。
分子式 C44H64O24，分子量 977.0。
别名/同义词：Crocin、Gardenia Yellow。
登记用途：Uses: Crocin dyes、isolated from Gardenia jasminodes... the crocin dyes are safe for coloring foods.、Crocin dyes、Laboratory reagent、Di-gentiobiose ester、MEDICATION、Use Classification: Food Additives -> COLOUR、Food Additives -> -> JECFA Functional Classes、Methods of Manufacturing: ...total crocin was extracted from saffron stigmas using crystallization method. Ethanol 80% was selected as the best extraction solvent. Crystallization process was carried out in one and two steps at different temperatures. Ethanol 80% was used as crystallization medium. Crocin crystals obtained from the first crystallization had low purity and thus were subjected to the second crystallization. The higher purity crystals were yielded in the second crystallization at -5 degrees C.、Impurities: ...the Fluka product was not a pure alpha-crocin sample、five other types of crocins in addition to an unknown impurity were seen in its chromatogram.、General Manufacturing Information: Polyene-type colorant、Crocetin ... (CI Natural Yellow 6、CI 75100) occurs in saffron as crocin (42553-65-1)。
所属分类：Colorants。
Crocin（CAS 42553-65-1）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 42553-65-1 |
|---|---|
| PubChem CID | 5281233 |
| 分子式 | C44H64O24 |
| 分子量 | 976.38 g/mol |
| IUPAC 名称 | bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate |
| InChIKey | SEBIKDIMAPSUBY-RTJKDTQDSA-N |
| UNII（FDA） | 877GWI46C2 |
| ChEBI 编号 | CHEBI:79068 |
| Molecular Weight | 977.0 |
|---|---|
| XLogP3 | -2.5 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 24 |
| Rotatable Bond Count | 20 |
| Exact Mass | 976.37875290 |
| Monoisotopic Mass | 976.37875290 |
| Topological Polar Surface Area | 391 |
| Heavy Atom Count | 68 |
| Melting Point | 186 °C |
|---|
Crocin; 42553-65-1; Crocine; Crocin 1; alpha-Crocin; Crocin A; Crocetin bis(gentiobiosyl) ester; DTXSID7046172; trans-Crocetin di(beta-D-gentiobiosyl) ester; crocetin di-gentiobiose ester; 877GWI46C2; all-trans-Crocetin di-beta-D-gentiobiosyl ester; DTXCID201457; 39465-00-4; 8,8'-Diapo-psi,psi-carotenedioic acid, bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) ester; RefChem:919204
| 法规与食品接触 | COLOUR; Food Additives ->: Food Additives NOT ALLOCATED TRS 990-JECFA 79/29 FAS 70-JECFA 79/73 |
|---|
西红花苷 的 CAS 号为 42553-65-1，分子式 C44H64O24，分子量 976.38 g/mol。 UNII 877GWI46C2; ChEBI 79068; InChIKey SEBIKDIMAPSUBY-RTJKDTQDSA-N. Melting Point: 186 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Crocin