4-正己基间苯二酚（CAS 136-77-6）：分子式 C12H18O2、分子量 194.27；类别 食品添加剂。
| CAS号 | 136-77-6 |
|---|---|
| 分子式 | C12H18O2 |
| 分子量 | 194.27 |
| 熔点 | 154 to 156 °F (NTP, 1992) |
| 沸点 | 631 °F at 760 mmHg (NTP, 1992) |
| LogP | log Kow = 3.45 |
| 应用领域 | Uses: Used as human and veterinary anthelmintic and human topical antiseptic、[Merck Index] Used in the processing of shrimp and other crustaceans to prevent melanosis (black spot)、[JECFA]、Using Disinfectants or Biocides [Category: Clean]、For hexylresorcinol (USEPA、OPP Pesticide Code: 071403) there are 0 labels match.、SRP: Not registered for current use in the U.S.、but approved pesticide uses may change periodically and so federal、state and local authorities must be consulted for currently approved uses.、4-Hexylresorcinol (C12H18O2) is proposed for use as a processing aid for prevention of melanosis ("black spot") in shrimp and as an alternative to the currently approved sulfites. A safety evaluation was conducted to affirm、based upon scientific procedures、the generally recognized as safe ("GRAS") status of 4-hexylresorcinol for proposed use.、MEDICATION、MEDICATION (VET)、Anthelmintic (nematodes). Antiseptic (topical).、Use Classification: Food additives、Food Additives -> ANTIOXIDANT、COLOUR_RETENTION_AGENT -> JECFA Functional Classes、Pharmaceuticals、Methods of Manufacturing: Reaction of caproic acid and resorcinol in the presence of a catalyst、Prepared by reduction of hexanoylresorcinol with zinc amalgam + dilute HCL、Formulations、Preparations: St 37、Caprokol、Crystoids、Sucrets.、Official hexylresorcinol pills ... are coated by patented process、gelatin coating being so tough that it cannot be readily broken even though chewed.、Dosage forms-- pills NF: 100 & 200 mg.、Formulation: Sorunex、U.S. Production: (1972) Probably greater than 4.54x10+5 grams、(1975) Probably greater than 4.54x10+5 grams、U.S. Imports: (1972) No Data、(1975) No Data、U.S. Exports: (1972) No Data、General Manufacturing Information: 1、3-Benzenediol、4-hexyl-: ACTIVE、While data specific to hexylresorcinol were not loacted、SRC、2005)、the literature suggests that some pharmaceutically active compounds originating from human and veterinary therapy are not eliminated completely in municipal sewage treatment plants and are therefore discharged into receiving waters(1). Wastewater treatment processes often were not designed to remove them from the effluent(2). Selected organic waste compounds may be degrading to new and more persistent compounds that may be released instead of or in addition to the parent compound(2). Studies have indicated that several polar pharmaceutically active compounds can leach through subsoils into aquifers(1). |
| 类别 | 抗氧化剂 |
登记用途：Uses: Used as human and veterinary anthelmintic and human topical antiseptic、[Merck Index] Used in the processing of shrimp and other crustaceans to prevent melanosis (black spot)、[JECFA]、Using Disinfectants or Biocides [Category: Clean]、For hexylresorcinol (USEPA、OPP Pesticide Code: 071403) there are 0 labels match.、SRP: Not registered for current use in the U.S.、but approved pesticide uses may change periodically and so federal、state and local authorities must be consulted for currently approved uses.、4-Hexylresorcinol (C12H18O2) is proposed for use as a processing aid for prevention of melanosis ("black spot") in shrimp and as an alternative to the currently approved sulfites. A safety evaluation was conducted to affirm、based upon scientific procedures、the generally recognized as safe ("GRAS") status of 4-hexylresorcinol for proposed use.、MEDICATION、MEDICATION (VET)、Anthelmintic (nematodes). Antiseptic (topical).、Use Classification: Food additives、Food Additives -> ANTIOXIDANT、COLOUR_RETENTION_AGENT -> JECFA Functional Classes、Pharmaceuticals、Methods of Manufacturing: Reaction of caproic acid and resorcinol in the presence of a catalyst、Prepared by reduction of hexanoylresorcinol with zinc amalgam + dilute HCL、Formulations、Preparations: St 37、Caprokol、Crystoids、Sucrets.、Official hexylresorcinol pills ... are coated by patented process、gelatin coating being so tough that it cannot be readily broken even though chewed.、Dosage forms-- pills NF: 100 & 200 mg.、Formulation: Sorunex、U.S. Production: (1972) Probably greater than 4.54x10+5 grams、(1975) Probably greater than 4.54x10+5 grams、U.S. Imports: (1972) No Data、(1975) No Data、U.S. Exports: (1972) No Data、General Manufacturing Information: 1、3-Benzenediol、4-hexyl-: ACTIVE、While data specific to hexylresorcinol were not loacted、SRC、2005)、the literature suggests that some pharmaceutically active compounds originating from human and veterinary therapy are not eliminated completely in municipal sewage treatment plants and are therefore discharged into receiving waters(1). Wastewater treatment processes often were not designed to remove them from the effluent(2). Selected organic waste compounds may be degrading to new and more persistent compounds that may be released instead of or in addition to the parent compound(2). Studies have indicated that several polar pharmaceutically active compounds can leach through subsoils into aquifers(1).。
4-正己基间苯二酚 是一种食品级化合物，登记 CAS 号为 136-77-6，分子式 C12H18O2（分子量 194.27），归属于食品添加剂大类化工原料。
登记 CAS 号：136-77-6
其分子式 C12H18O2 由 12 个碳、18 个氢、2 个氧 组成。
别名/同义词：4-正己基间苯二酚 · 4-Hexylresorcinol
所属分类：食品添加剂
4-正己基间苯二酚 的 CAS 登记号为 136-77-6。
分子式 C12H18O2，分子量 194.27。
别名/同义词：4-正己基间苯二酚、4-Hexylresorcinol。
登记用途：Uses: Used as human and veterinary anthelmintic and human topical antiseptic、[Merck Index] Used in the processing of shrimp and other crustaceans to prevent melanosis (black spot)、[JECFA]、Using Disinfectants or Biocides [Category: Clean]、For hexylresorcinol (USEPA、OPP Pesticide Code: 071403) there are 0 labels match.、SRP: Not registered for current use in the U.S.、but approved pesticide uses may change periodically and so federal、state and local authorities must be consulted for currently approved uses.、4-Hexylresorcinol (C12H18O2) is proposed for use as a processing aid for prevention of melanosis ("black spot") in shrimp and as an alternative to the currently approved sulfites. A safety evaluation was conducted to affirm、based upon scientific procedures、the generally recognized as safe ("GRAS") status of 4-hexylresorcinol for proposed use.、MEDICATION、MEDICATION (VET)、Anthelmintic (nematodes). Antiseptic (topical).、Use Classification: Food additives、Food Additives -> ANTIOXIDANT、COLOUR_RETENTION_AGENT -> JECFA Functional Classes、Pharmaceuticals、Methods of Manufacturing: Reaction of caproic acid and resorcinol in the presence of a catalyst、Prepared by reduction of hexanoylresorcinol with zinc amalgam + dilute HCL、Formulations、Preparations: St 37、Caprokol、Crystoids、Sucrets.、Official hexylresorcinol pills ... are coated by patented process、gelatin coating being so tough that it cannot be readily broken even though chewed.、Dosage forms-- pills NF: 100 & 200 mg.、Formulation: Sorunex、U.S. Production: (1972) Probably greater than 4.54x10+5 grams、(1975) Probably greater than 4.54x10+5 grams、U.S. Imports: (1972) No Data、(1975) No Data、U.S. Exports: (1972) No Data、General Manufacturing Information: 1、3-Benzenediol、4-hexyl-: ACTIVE、While data specific to hexylresorcinol were not loacted、SRC、2005)、the literature suggests that some pharmaceutically active compounds originating from human and veterinary therapy are not eliminated completely in municipal sewage treatment plants and are therefore discharged into receiving waters(1). Wastewater treatment processes often were not designed to remove them from the effluent(2). Selected organic waste compounds may be degrading to new and more persistent compounds that may be released instead of or in addition to the parent compound(2). Studies have indicated that several polar pharmaceutically active compounds can leach through subsoils into aquifers(1).。
所属分类：抗氧化剂。
4-正己基间苯二酚（CAS 136-77-6）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 136-77-6 |
|---|---|
| PubChem CID | 3610 |
| 分子式 | C12H18O2 |
| 分子量 | 194.13 g/mol |
| IUPAC 名称 | 4-hexylbenzene-1,3-diol |
| InChIKey | WFJIVOKAWHGMBH-UHFFFAOYSA-N |
| UNII（FDA） | R9QTB5E82N |
| ChEBI 编号 | CHEBI:93749 |
| ATC 编码（WHO） | R02AA12 |
| Molecular Weight | 194.27 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 194.130679813 |
| Monoisotopic Mass | 194.130679813 |
| Topological Polar Surface Area | 40.5 |
| Heavy Atom Count | 14 |
| Boiling Point | 631 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 334.00 °C. @ 760.00 mm Hg |
| Melting Point | 154 to 156 °F (NTP, 1992) |
| Melting Point | 62 to 67 °C |
| Melting Point | 67.5-69 °C |
| Melting Point | 68 - 70 °C |
| Solubility | In water, 500 mg/L at 18 °C |
| Solubility | 0.5 mg/mL at 18 °C |
| Vapor Pressure | 0.00000845 [mmHg] |
| LogP | log Kow = 3.45 |
hexylresorcinol; 4-Hexylresorcinol; 136-77-6; 4-hexylbenzene-1,3-diol; 4-Hexyl-1,3-benzenediol; 4-n-Hexylresorcinol; p-Hexylresorcinol; Antascarin; Ascaricid; Ascarinol; Caprokol; Crystoids; Oxana; Adrover; Hidesol; 4-Hexylresorcine
| 法规与食品接触 | ANTIOXIDANT; COLOUR_RETENTION_AGENT: Food Additives JECFA 无法确定 ADI 数值，但得出的结论是，甲壳类动物的处理浓度 TRS 859-JECFA 44/10 FAS 35-JECFA 44/105 |
|---|---|
| GHS 通报统计 | 1.7% (1 / 60) |
| GHS 通报统计 | 1.7% (1 / 60) |
|---|---|
| 已通报的危害声明 | H302 (98.3%), H315 (91.7%), H319 (95%), H335 (88.3%) |
4-正己基间苯二酚 的 CAS 号为 136-77-6，分子式 C12H18O2，分子量 194.13 g/mol。 UNII R9QTB5E82N; ChEBI 93749; InChIKey WFJIVOKAWHGMBH-UHFFFAOYSA-N. Boiling Point: 631 °F at 760 mmHg (NTP, 1992); Boiling Point: 334.00 °C. @ 760.00 mm Hg; Melting Point: 154 to 156 °F (NTP, 1992).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 4-Hexylresorcinol