二乙醇亚硝胺（CAS 1116-54-7）：分子式 C4H10N2O3、分子量 134.13。
| CAS号 | 1116-54-7 |
|---|---|
| 分子式 | C4H10N2O3 |
| 分子量 | 134.13 |
| 沸点 | 237 °F at 1.5 mmHg (NTP, 1992) |
| LogP | -1.5 |
| 应用领域 | Uses: May contaminate cosmetics and cutting fluids、[Merck Index] Used as a research chemical、[HSDB]、Metal Machining [Category: Heat or Machine]、There is no known commercial use for N-nitrosodiethanolamine.、It is available in research quantities.、Household Products: Cosmetics product ingredient: N-Nitrosodiethanolamine (2、2'-(Nitrosoimino)bisethanol)、Reason for Listing:、- Classified by the European Union as a carcinogen Category 1B in Annex VI to Regulation (EC) 1272、2008、- Known to cause cancer and listed under Health and Safety Code section 25249.8 of the California Safe Drinking Water and Toxic Enforcement Act of 1986 (Prop 65)、- Group 2B carcinogen identified by the International Agency for Research on Cancer、- Identified as “known to be” or “reasonably anticipated to be” a human carcinogen in the 13th Report on Carcinogens、United States Department of Health and Human Services、Public Health Service、National Toxicology Program、- Identified as “carcinogenic to humans”、“likely to be carcinogenic to humans”、or Group B2 carcinogen in the United States Environmental Protection Agency’s Integrated Risk Information System、Potential Health Impacts: Carcinogenicity、Product count: 3、Methods of Manufacturing: N-Nitrosodiethanolamine is formed by the action of nitrosating agents (nitrites、2-bromo-2-nitropropane-1、3-diol、nitrogen oxides) on diethanolamine and triethanolamine. The rate of formation of N-nitrosodiethanolamine in aqueous solutions of ethanolamines is pH-、temperature- and time-dependent.、REACTION OF NITROUS ACID WITH DIETHANOLAMINE、N-Nitrosodiethanolamine has been prepared by the reaction of sodium nitrite with diethanolamine dissolved in dilute hydrochloric acid.、U.S. Production: (1977) NOT PRODUCED COMMERCIALLY IN USA、(1982) NOT PRODUCED COMMERCIALLY IN USA、(1978) Not produced commercially in the USA、U.S. Imports: (1977) No Data、(1982) No Data、(1987) No Data、U.S. Exports: (1977) No Data、General Manufacturing Information: Ethanol、2、2'-(nitrosoimino)bis-: ACTIVE、No evidence was found that NDELA has been produced commercially、it is difficult to prepare and purify.、2-BROMO-2-NITROPROPANE-1、3-DIOL (BNPD)、AN ANTIBACTERIAL & ANTIFUNGAL AGENT、WAS SHOWN TO NITROSATE DIETHANOLAMINE & TRIETHANOLAMINE. AT PH 12.0 YIELD OF NDELA INCR FROM LESS THAN 1% AFTER 1 HR TO MAX OF 11% AFTER 96 HR.、N-Nitrosodiethanolamine (NDELA) was found in aq soln containing polysorbate 20 & diethanolamine stored at pH 6 & 50 °C under continuous aeration. ... NDELA was also formed in aq soln of hydrogen peroxide & diethanolamine.、The effect of various types of inhibitors with respect to structure & solubility on the formation of N-nitrosodiethanolamine (NDELA) was studied in prototype oil-in-water anionic emulsion. Nitrosation resulted from the action of nitrite on diethanolamine at pH 5.2-5.4. Among the water-sol inhibitors incorporated into the aq phase、sodium bisulfite & ascorbic acid were effective. Potassium sorbate was much less effective. The oil-sol inhibitors were incorporated into the oil phase of the emulsion. Of these、only ascorbyl palmitate was effective. When alpha-tocopherol was dispersed in the aq phase in the absence of the oil、nitrite was readily destroyed. The reduced inhibition obtained with butylated hydroxyanisole & alpha-tocopherol was at least in part because of their isolation from the nitrite in water phase. On the other hand、the reducing portion of the ascorbyl palmitate molecule could be in the water phase at the oil、water interface. |
登记用途：Uses: May contaminate cosmetics and cutting fluids、[Merck Index] Used as a research chemical、[HSDB]、Metal Machining [Category: Heat or Machine]、There is no known commercial use for N-nitrosodiethanolamine.、It is available in research quantities.、Household Products: Cosmetics product ingredient: N-Nitrosodiethanolamine (2、2'-(Nitrosoimino)bisethanol)、Reason for Listing:、- Classified by the European Union as a carcinogen Category 1B in Annex VI to Regulation (EC) 1272、2008、- Known to cause cancer and listed under Health and Safety Code section 25249.8 of the California Safe Drinking Water and Toxic Enforcement Act of 1986 (Prop 65)、- Group 2B carcinogen identified by the International Agency for Research on Cancer、- Identified as “known to be” or “reasonably anticipated to be” a human carcinogen in the 13th Report on Carcinogens、United States Department of Health and Human Services、Public Health Service、National Toxicology Program、- Identified as “carcinogenic to humans”、“likely to be carcinogenic to humans”、or Group B2 carcinogen in the United States Environmental Protection Agency’s Integrated Risk Information System、Potential Health Impacts: Carcinogenicity、Product count: 3、Methods of Manufacturing: N-Nitrosodiethanolamine is formed by the action of nitrosating agents (nitrites、2-bromo-2-nitropropane-1、3-diol、nitrogen oxides) on diethanolamine and triethanolamine. The rate of formation of N-nitrosodiethanolamine in aqueous solutions of ethanolamines is pH-、temperature- and time-dependent.、REACTION OF NITROUS ACID WITH DIETHANOLAMINE、N-Nitrosodiethanolamine has been prepared by the reaction of sodium nitrite with diethanolamine dissolved in dilute hydrochloric acid.、U.S. Production: (1977) NOT PRODUCED COMMERCIALLY IN USA、(1982) NOT PRODUCED COMMERCIALLY IN USA、(1978) Not produced commercially in the USA、U.S. Imports: (1977) No Data、(1982) No Data、(1987) No Data、U.S. Exports: (1977) No Data、General Manufacturing Information: Ethanol、2、2'-(nitrosoimino)bis-: ACTIVE、No evidence was found that NDELA has been produced commercially、it is difficult to prepare and purify.、2-BROMO-2-NITROPROPANE-1、3-DIOL (BNPD)、AN ANTIBACTERIAL & ANTIFUNGAL AGENT、WAS SHOWN TO NITROSATE DIETHANOLAMINE & TRIETHANOLAMINE. AT PH 12.0 YIELD OF NDELA INCR FROM LESS THAN 1% AFTER 1 HR TO MAX OF 11% AFTER 96 HR.、N-Nitrosodiethanolamine (NDELA) was found in aq soln containing polysorbate 20 & diethanolamine stored at pH 6 & 50 °C under continuous aeration. ... NDELA was also formed in aq soln of hydrogen peroxide & diethanolamine.、The effect of various types of inhibitors with respect to structure & solubility on the formation of N-nitrosodiethanolamine (NDELA) was studied in prototype oil-in-water anionic emulsion. Nitrosation resulted from the action of nitrite on diethanolamine at pH 5.2-5.4. Among the water-sol inhibitors incorporated into the aq phase、sodium bisulfite & ascorbic acid were effective. Potassium sorbate was much less effective. The oil-sol inhibitors were incorporated into the oil phase of the emulsion. Of these、only ascorbyl palmitate was effective. When alpha-tocopherol was dispersed in the aq phase in the absence of the oil、nitrite was readily destroyed. The reduced inhibition obtained with butylated hydroxyanisole & alpha-tocopherol was at least in part because of their isolation from the nitrite in water phase. On the other hand、the reducing portion of the ascorbyl palmitate molecule could be in the water phase at the oil、water interface.。
二乙醇亚硝胺 是一种化工化合物，登记 CAS 号为 1116-54-7，分子式 C4H10N2O3（分子量 134.13）。
登记 CAS 号：1116-54-7
其分子式 C4H10N2O3 由 4 个碳、10 个氢、2 个氮、3 个氧 组成。
别名/同义词：二乙醇亚硝胺 · N-NITROSODIETHANOLAMINE
二乙醇亚硝胺 的 CAS 登记号为 1116-54-7。
分子式 C4H10N2O3，分子量 134.13。
别名/同义词：二乙醇亚硝胺、N-NITROSODIETHANOLAMINE。
登记用途：Uses: May contaminate cosmetics and cutting fluids、[Merck Index] Used as a research chemical、[HSDB]、Metal Machining [Category: Heat or Machine]、There is no known commercial use for N-nitrosodiethanolamine.、It is available in research quantities.、Household Products: Cosmetics product ingredient: N-Nitrosodiethanolamine (2、2'-(Nitrosoimino)bisethanol)、Reason for Listing:、- Classified by the European Union as a carcinogen Category 1B in Annex VI to Regulation (EC) 1272、2008、- Known to cause cancer and listed under Health and Safety Code section 25249.8 of the California Safe Drinking Water and Toxic Enforcement Act of 1986 (Prop 65)、- Group 2B carcinogen identified by the International Agency for Research on Cancer、- Identified as “known to be” or “reasonably anticipated to be” a human carcinogen in the 13th Report on Carcinogens、United States Department of Health and Human Services、Public Health Service、National Toxicology Program、- Identified as “carcinogenic to humans”、“likely to be carcinogenic to humans”、or Group B2 carcinogen in the United States Environmental Protection Agency’s Integrated Risk Information System、Potential Health Impacts: Carcinogenicity、Product count: 3、Methods of Manufacturing: N-Nitrosodiethanolamine is formed by the action of nitrosating agents (nitrites、2-bromo-2-nitropropane-1、3-diol、nitrogen oxides) on diethanolamine and triethanolamine. The rate of formation of N-nitrosodiethanolamine in aqueous solutions of ethanolamines is pH-、temperature- and time-dependent.、REACTION OF NITROUS ACID WITH DIETHANOLAMINE、N-Nitrosodiethanolamine has been prepared by the reaction of sodium nitrite with diethanolamine dissolved in dilute hydrochloric acid.、U.S. Production: (1977) NOT PRODUCED COMMERCIALLY IN USA、(1982) NOT PRODUCED COMMERCIALLY IN USA、(1978) Not produced commercially in the USA、U.S. Imports: (1977) No Data、(1982) No Data、(1987) No Data、U.S. Exports: (1977) No Data、General Manufacturing Information: Ethanol、2、2'-(nitrosoimino)bis-: ACTIVE、No evidence was found that NDELA has been produced commercially、it is difficult to prepare and purify.、2-BROMO-2-NITROPROPANE-1、3-DIOL (BNPD)、AN ANTIBACTERIAL & ANTIFUNGAL AGENT、WAS SHOWN TO NITROSATE DIETHANOLAMINE & TRIETHANOLAMINE. AT PH 12.0 YIELD OF NDELA INCR FROM LESS THAN 1% AFTER 1 HR TO MAX OF 11% AFTER 96 HR.、N-Nitrosodiethanolamine (NDELA) was found in aq soln containing polysorbate 20 & diethanolamine stored at pH 6 & 50 °C under continuous aeration. ... NDELA was also formed in aq soln of hydrogen peroxide & diethanolamine.、The effect of various types of inhibitors with respect to structure & solubility on the formation of N-nitrosodiethanolamine (NDELA) was studied in prototype oil-in-water anionic emulsion. Nitrosation resulted from the action of nitrite on diethanolamine at pH 5.2-5.4. Among the water-sol inhibitors incorporated into the aq phase、sodium bisulfite & ascorbic acid were effective. Potassium sorbate was much less effective. The oil-sol inhibitors were incorporated into the oil phase of the emulsion. Of these、only ascorbyl palmitate was effective. When alpha-tocopherol was dispersed in the aq phase in the absence of the oil、nitrite was readily destroyed. The reduced inhibition obtained with butylated hydroxyanisole & alpha-tocopherol was at least in part because of their isolation from the nitrite in water phase. On the other hand、the reducing portion of the ascorbyl palmitate molecule could be in the water phase at the oil、water interface.。
二乙醇亚硝胺（CAS 1116-54-7）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 1116-54-7 |
|---|---|
| PubChem CID | 14223 |
| 分子式 | C4H10N2O3 |
| IUPAC 名称 | N,N-bis(2-hydroxyethyl)nitrous amide |
| UNII（FDA） | 30YI1289VY |
| Molecular Weight | 134.13 |
|---|---|
| XLogP3 | -1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 134.06914219 |
| Monoisotopic Mass | 134.06914219 |
| Topological Polar Surface Area | 73.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 237 °F at 1.5 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 114 °C at 1.4 mm Hg |
| Boiling Point | 237 °F at 1.5 mmHg |
| Density | 1.28 |
| Vapor Pressure | 0.0005 [mmHg] |
N-NITROSODIETHANOLAMINE; 1116-54-7; Ndela; Diethanolnitrosamine; Nitrosodiethanolamine; N,N-bis(2-hydroxyethyl)nitrous amide; 2,2'-(Nitrosoimino)bisethanol; Diethanolnitrosoamine; N,N-Diethanolnitrosamine; Nitrosoimino diethanol; N-Nitrosoaminodiethanol; NCI-C55583; Diaethanolnitrosamin; Ethanol, N-nitrosoiminodi-; N-Nitrosodiaethanolamin; Ethanol, 2,2'-(nitrosoimino)bis-
| 已通报的危害声明 | H350, H225 (30.1%), H351 |
|---|
二乙醇亚硝胺 · CAS 1116-54-7 · C4H10N2O3. UNII 30YI1289VY. Boiling Point: 237 °F at 1.5 mmHg (NTP, 1992); Boiling Point: 114 °C at 1.4 mm Hg; Boiling Point: 237 °F at 1.5 mmHg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: N-NITROSODIETHANOLAMINE