异植物醇（CAS 505-32-8）：分子式 C20H40O、分子量 296.5；类别 食品添加剂。
| CAS号 | 505-32-8 |
|---|---|
| 分子式 | C20H40O |
| 分子量 | 296.5 |
| 沸点 | 107-110 °C at 0.01 mm Hg; 125-128 °C at 0.06 mm Hg |
| LogP | 7.8 |
| 应用领域 | Uses: A decomposition product of chlorophyll、[Merck Index] Used to make vitamins E and K、as diluent in fine fragrances、and as a flavoring agent in Europe、[HSDB]、Intermediate、in the synthesis of Vitamins E and K...used as a diluent in higher price fragrances.、The industrial synthesis of phytol starts from isophytol.、Preparation of vitamins E and K1.、Most of the isophytol produced (estimate >> 99%) is being used as an intermediate in the synthesis of two vitamins with phytyl chains. Approx 99% of the above share is used for Vitamin E synthesis and < 1% for Vitamin K synthesis.、For more Uses (Complete) data for ISOPHYTOL (6 total)、please visit the HSDB record page.、Use Classification: Fragrance Ingredients、Household Products: Information on 1 consumer products that contain Isophytol in the following categories is provided:、• Personal Care、Methods of Manufacturing: Isophytol is formed by transition-metal-catalyzed addition of malonic ester、to myrcene、and subsequent acidification.、Synthesis from linalool or citral、... from acetylene、...、and、from pseudoionone and propargyl alcohol.、Total chemical synthesis of isophytol may start from the addition of acetylene (CAS 74-86-2) to acetone (67-64-1) resulting in 3-methyl-1-butyn-3-ol (115-19-5)、which is hydrated in the presence of a palladium catalyst to 3-methyl-1-buten-3-ol (115-18-4)、which is reacted with either diketene or acetic acid ester to the acetoacetate and the latter thermally reacted to 2-methyl-2-hepten-6-one (110-93-0). Alternatively、3-methyl-1-buten-3-ol is reacted with isopropenyl methyl ether (116-11-0) to 2-methyl-2-hepten-6-one. In a third synthetic pathway、isoprene hydrochloride is reacted with acetone in the presence of an alkaline condensing agent or in the presence of organic bases as catalysts to 2-methyl-2-hepten-6-one. 2-Methyl-2-hepten-6-one is then reacted with acetylene to dehydrolinalool (29171-20-8)、to which isopropenyl methyl ether is added to make pseudoionone (141-10-6). The three double bonds are hydrated to form 6、10-dimethyl-2-undecanone (1604-34-8)、which is reacted with acetylene to 3、7、11-trimethyl-1-dodecyn-3-ol (1604-35-9). Isopropenyl methyl ether is added to form 6、10-14-trimethyl-4、5-pentadecadiene-2-one (16647-10-2)、which is hydrated to hexahydrofarnesyl acetone (502-69-2). This is again reacted with acetylene to 3、11、15-tetramethyl-1-hexadecyn-3-ol (dehydroisophytol、29171-23-1)、which is finally hydrated to isophytol.、Impurities: Impurities: 3、15-tetramethylhexadecan-3-ol (85761-30-4、< or = 2.5% v、v)、6、10、14-trimethylpentadecan-2-one (207-950-7、< or = 2% v、3、15-tetramethylhexadec-1-yn-3-ol (29171-23-1、< or = 0.5% v、14-trimethyl-3-pentadecen-2-one (72226-32-5、< or = 0.3% v、14-trimethylpentadecan-2-ol (69729-17-5、maximum of unknown impurities (sum) Contents < 2% v、v.、Purity: > or = 95% v、v (synthetic isophytol、minimum specification)、General Manufacturing Information: 1-Hexadecen-3-ol、15-tetramethyl-: ACTIVE、DECOMPOSITION PRODUCT OF CHLOROPHYLL. |
| 类别 | 其他食品添加剂 |
登记用途：Uses: A decomposition product of chlorophyll、[Merck Index] Used to make vitamins E and K、as diluent in fine fragrances、and as a flavoring agent in Europe、[HSDB]、Intermediate、in the synthesis of Vitamins E and K...used as a diluent in higher price fragrances.、The industrial synthesis of phytol starts from isophytol.、Preparation of vitamins E and K1.、Most of the isophytol produced (estimate >> 99%) is being used as an intermediate in the synthesis of two vitamins with phytyl chains. Approx 99% of the above share is used for Vitamin E synthesis and < 1% for Vitamin K synthesis.、For more Uses (Complete) data for ISOPHYTOL (6 total)、please visit the HSDB record page.、Use Classification: Fragrance Ingredients、Household Products: Information on 1 consumer products that contain Isophytol in the following categories is provided:、• Personal Care、Methods of Manufacturing: Isophytol is formed by transition-metal-catalyzed addition of malonic ester、to myrcene、and subsequent acidification.、Synthesis from linalool or citral、... from acetylene、...、and、from pseudoionone and propargyl alcohol.、Total chemical synthesis of isophytol may start from the addition of acetylene (CAS 74-86-2) to acetone (67-64-1) resulting in 3-methyl-1-butyn-3-ol (115-19-5)、which is hydrated in the presence of a palladium catalyst to 3-methyl-1-buten-3-ol (115-18-4)、which is reacted with either diketene or acetic acid ester to the acetoacetate and the latter thermally reacted to 2-methyl-2-hepten-6-one (110-93-0). Alternatively、3-methyl-1-buten-3-ol is reacted with isopropenyl methyl ether (116-11-0) to 2-methyl-2-hepten-6-one. In a third synthetic pathway、isoprene hydrochloride is reacted with acetone in the presence of an alkaline condensing agent or in the presence of organic bases as catalysts to 2-methyl-2-hepten-6-one. 2-Methyl-2-hepten-6-one is then reacted with acetylene to dehydrolinalool (29171-20-8)、to which isopropenyl methyl ether is added to make pseudoionone (141-10-6). The three double bonds are hydrated to form 6、10-dimethyl-2-undecanone (1604-34-8)、which is reacted with acetylene to 3、7、11-trimethyl-1-dodecyn-3-ol (1604-35-9). Isopropenyl methyl ether is added to form 6、10-14-trimethyl-4、5-pentadecadiene-2-one (16647-10-2)、which is hydrated to hexahydrofarnesyl acetone (502-69-2). This is again reacted with acetylene to 3、11、15-tetramethyl-1-hexadecyn-3-ol (dehydroisophytol、29171-23-1)、which is finally hydrated to isophytol.、Impurities: Impurities: 3、15-tetramethylhexadecan-3-ol (85761-30-4、< or = 2.5% v、v)、6、10、14-trimethylpentadecan-2-one (207-950-7、< or = 2% v、3、15-tetramethylhexadec-1-yn-3-ol (29171-23-1、< or = 0.5% v、14-trimethyl-3-pentadecen-2-one (72226-32-5、< or = 0.3% v、14-trimethylpentadecan-2-ol (69729-17-5、maximum of unknown impurities (sum) Contents < 2% v、v.、Purity: > or = 95% v、v (synthetic isophytol、minimum specification)、General Manufacturing Information: 1-Hexadecen-3-ol、15-tetramethyl-: ACTIVE、DECOMPOSITION PRODUCT OF CHLOROPHYLL.。
异植物醇 是一种食品级化合物，登记 CAS 号为 505-32-8，分子式 C20H40O（分子量 296.5），归属于食品添加剂大类化工原料。
登记 CAS 号：505-32-8
其分子式 C20H40O 由 20 个碳、40 个氢、1 个氧 组成。
别名/同义词：异植物醇 · Isophytol
所属分类：食品添加剂
异植物醇 的 CAS 登记号为 505-32-8。
分子式 C20H40O，分子量 296.5。
别名/同义词：异植物醇、Isophytol。
登记用途：Uses: A decomposition product of chlorophyll、[Merck Index] Used to make vitamins E and K、as diluent in fine fragrances、and as a flavoring agent in Europe、[HSDB]、Intermediate、in the synthesis of Vitamins E and K...used as a diluent in higher price fragrances.、The industrial synthesis of phytol starts from isophytol.、Preparation of vitamins E and K1.、Most of the isophytol produced (estimate >> 99%) is being used as an intermediate in the synthesis of two vitamins with phytyl chains. Approx 99% of the above share is used for Vitamin E synthesis and < 1% for Vitamin K synthesis.、For more Uses (Complete) data for ISOPHYTOL (6 total)、please visit the HSDB record page.、Use Classification: Fragrance Ingredients、Household Products: Information on 1 consumer products that contain Isophytol in the following categories is provided:、• Personal Care、Methods of Manufacturing: Isophytol is formed by transition-metal-catalyzed addition of malonic ester、to myrcene、and subsequent acidification.、Synthesis from linalool or citral、... from acetylene、...、and、from pseudoionone and propargyl alcohol.、Total chemical synthesis of isophytol may start from the addition of acetylene (CAS 74-86-2) to acetone (67-64-1) resulting in 3-methyl-1-butyn-3-ol (115-19-5)、which is hydrated in the presence of a palladium catalyst to 3-methyl-1-buten-3-ol (115-18-4)、which is reacted with either diketene or acetic acid ester to the acetoacetate and the latter thermally reacted to 2-methyl-2-hepten-6-one (110-93-0). Alternatively、3-methyl-1-buten-3-ol is reacted with isopropenyl methyl ether (116-11-0) to 2-methyl-2-hepten-6-one. In a third synthetic pathway、isoprene hydrochloride is reacted with acetone in the presence of an alkaline condensing agent or in the presence of organic bases as catalysts to 2-methyl-2-hepten-6-one. 2-Methyl-2-hepten-6-one is then reacted with acetylene to dehydrolinalool (29171-20-8)、to which isopropenyl methyl ether is added to make pseudoionone (141-10-6). The three double bonds are hydrated to form 6、10-dimethyl-2-undecanone (1604-34-8)、which is reacted with acetylene to 3、7、11-trimethyl-1-dodecyn-3-ol (1604-35-9). Isopropenyl methyl ether is added to form 6、10-14-trimethyl-4、5-pentadecadiene-2-one (16647-10-2)、which is hydrated to hexahydrofarnesyl acetone (502-69-2). This is again reacted with acetylene to 3、11、15-tetramethyl-1-hexadecyn-3-ol (dehydroisophytol、29171-23-1)、which is finally hydrated to isophytol.、Impurities: Impurities: 3、15-tetramethylhexadecan-3-ol (85761-30-4、< or = 2.5% v、v)、6、10、14-trimethylpentadecan-2-one (207-950-7、< or = 2% v、3、15-tetramethylhexadec-1-yn-3-ol (29171-23-1、< or = 0.5% v、14-trimethyl-3-pentadecen-2-one (72226-32-5、< or = 0.3% v、14-trimethylpentadecan-2-ol (69729-17-5、maximum of unknown impurities (sum) Contents < 2% v、v.、Purity: > or = 95% v、v (synthetic isophytol、minimum specification)、General Manufacturing Information: 1-Hexadecen-3-ol、15-tetramethyl-: ACTIVE、DECOMPOSITION PRODUCT OF CHLOROPHYLL.。
所属分类：其他食品添加剂。
异植物醇（CAS 505-32-8）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 505-32-8 |
|---|---|
| PubChem CID | 10453 |
| 分子式 | C20H40O |
| 分子量 | 296.31 g/mol |
| IUPAC 名称 | 3,7,11,15-tetramethylhexadec-1-en-3-ol |
| InChIKey | KEVYVLWNCKMXJX-UHFFFAOYSA-N |
| UNII（FDA） | A831ZI6VIM |
| Molecular Weight | 296.5 |
|---|---|
| XLogP3 | 7.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 13 |
| Exact Mass | 296.307915895 |
| Monoisotopic Mass | 296.307915895 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 21 |
| Boiling Point | 107-110 °C at 0.01 mm Hg; 125-128 °C at 0.06 mm Hg |
|---|---|
| Density | 0.8519 at 20 °C/4 °C |
| Surface Tension | 28.47 millinewton/m at 20 °C |
ISOPHYTOL; 505-32-8; 3,7,11,15-Tetramethylhexadec-1-en-3-ol; 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl-; 2,6,10,14-Tetramethylhexadec-15-en-14-ol; 2,6,10-Trimethyl-14-vinylpentadecan-14-ol; DTXSID2025474; A831ZI6VIM; NSC-93744; DTXCID005474; RefChem:149745; 208-008-8; 3,7,11,15-Tetramethyl-1-hexadecen-3-ol; NSC 93744; MFCD00048380; 3,7,11,15-tetramethyl-1-hexadecene-3-ol
| 法规与食品接触 | EU Flavoring substances Flavoring Agents |
|---|
| 已通报的危害声明 | H315, H400 (97.4%), H410 (100%), H320, H361 |
|---|
异植物醇 的 CAS 号为 505-32-8，分子式 C20H40O，分子量 296.31 g/mol。 UNII A831ZI6VIM; InChIKey KEVYVLWNCKMXJX-UHFFFAOYSA-N. Boiling Point: 107-110 °C at 0.01 mm Hg; 125-128 °C at 0.06 mm Hg; Density: 0.8519 at 20 °C/4 °C; Surface Tension: 28.47 millinewton/m at 20 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Isophytol