2,3-丁二醇（CAS 513-85-9）：分子式 C4H10O2、分子量 90.12。
| CAS号 | 513-85-9 |
|---|---|
| 分子式 | C4H10O2 |
| 分子量 | 90.12 |
| 熔点 | 19 °C |
| 沸点 | BP: 182 °C at 1 atm |
| LogP | -0.9 |
| 应用领域 | Uses: CIR ingredient: 2、3-Butanediol、Used in resins、as a solvent for dyes、as a blending agent、and as a crosslinking agent for naphthalene-1、5-diisocyanate in the production of specific hard-rubber products、[HSDB]、For 2、3-butanediol (USEPA、OPP Pesticide Code: 642202) 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.、Resins、solvent for dyes、intermediate、blending agent.、2、3-Butanediol (at least 80% meso isomer、the rest racemic mixture) is used as a crosslinking agent for naphthalene-1、5-diisocyanate in the production of specific hard-rubber products (Vulkollan). Derivatives of 2、3-butanediol are important as insecticides (Sapecron: acetal with methylcarbamate of salicylic aldehyde) and as intermediates in the pharmaceutical industry. 2、3-Butanediols have some interest as humectants and in the synthesis of polymers and plasticizers.、Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents、Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern、Methods of Manufacturing: After removal of butadiene and isobutene from crack gases、a C4 hydrocarbon fraction、called C4 raffinate II、is obtained、which contains approximately 77% butenes and 23% of a mixture of butane and isobutane. By chlorohydrination of this fraction with a solution of chlorine in water and subsequent cyclization of the chlorohydrins with sodium hydroxide、a butene oxide mixture of the following composition is obtained: 55% trans-2、3-butene oxide、30% cis-2、and 15% 1、2-butene oxide. Hydrolysis of this mixture (50 bar、160-220 °C、reaction enthalpy deltaH= -42 kJ、mol) yields a mixture of butanediols which is separated by vacuum fractionation. In order to avoid the formation of polyethers during the hydrolysis、an excess of water must be used. ... By this reaction sequence、meso-2、3-butanediol is obtained from trans-2-butene via trans-2、the racemic mixture of R、R- and S、S-2、3-butanediol is formed analogously from cis-2-butene via cis-2、3-butene oxide.、Preparation of D(-)- and L(+)-forms from corresponding D- and L-mannitols.、D(-)- and L(+)-forms、Preparation of meso-form from trans-2、3-epoxybutane and of DL-form from cis-2、3-epoxybutane.、Meso and DL form、Manufacture of D(-)-form by fermentation of carbohydrate solutions with organisms of the Bacillus subtilis group: Vergnaud、United States of America patent 2529061 (1950 to Usines de Melle).、D(-)-form、For more Methods of Manufacturing (Complete) data for 2、3-Butanediol (14 total)、please visit the HSDB record page.、Formulations、Preparations: Grade: 99%、The commercial product is usually either the meso- or the D(-)-form.、U.S. Production: Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 2、3-Butanediol:、Table: National Aggregate Production Volume (pounds) [Table#3185]、General Manufacturing Information: 2、3-Butanediol: ACTIVE |
登记用途：Uses: CIR ingredient: 2、3-Butanediol、Used in resins、as a solvent for dyes、as a blending agent、and as a crosslinking agent for naphthalene-1、5-diisocyanate in the production of specific hard-rubber products、[HSDB]、For 2、3-butanediol (USEPA、OPP Pesticide Code: 642202) 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.、Resins、solvent for dyes、intermediate、blending agent.、2、3-Butanediol (at least 80% meso isomer、the rest racemic mixture) is used as a crosslinking agent for naphthalene-1、5-diisocyanate in the production of specific hard-rubber products (Vulkollan). Derivatives of 2、3-butanediol are important as insecticides (Sapecron: acetal with methylcarbamate of salicylic aldehyde) and as intermediates in the pharmaceutical industry. 2、3-Butanediols have some interest as humectants and in the synthesis of polymers and plasticizers.、Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents、Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern、Methods of Manufacturing: After removal of butadiene and isobutene from crack gases、a C4 hydrocarbon fraction、called C4 raffinate II、is obtained、which contains approximately 77% butenes and 23% of a mixture of butane and isobutane. By chlorohydrination of this fraction with a solution of chlorine in water and subsequent cyclization of the chlorohydrins with sodium hydroxide、a butene oxide mixture of the following composition is obtained: 55% trans-2、3-butene oxide、30% cis-2、and 15% 1、2-butene oxide. Hydrolysis of this mixture (50 bar、160-220 °C、reaction enthalpy deltaH= -42 kJ、mol) yields a mixture of butanediols which is separated by vacuum fractionation. In order to avoid the formation of polyethers during the hydrolysis、an excess of water must be used. ... By this reaction sequence、meso-2、3-butanediol is obtained from trans-2-butene via trans-2、the racemic mixture of R、R- and S、S-2、3-butanediol is formed analogously from cis-2-butene via cis-2、3-butene oxide.、Preparation of D(-)- and L(+)-forms from corresponding D- and L-mannitols.、D(-)- and L(+)-forms、Preparation of meso-form from trans-2、3-epoxybutane and of DL-form from cis-2、3-epoxybutane.、Meso and DL form、Manufacture of D(-)-form by fermentation of carbohydrate solutions with organisms of the Bacillus subtilis group: Vergnaud、United States of America patent 2529061 (1950 to Usines de Melle).、D(-)-form、For more Methods of Manufacturing (Complete) data for 2、3-Butanediol (14 total)、please visit the HSDB record page.、Formulations、Preparations: Grade: 99%、The commercial product is usually either the meso- or the D(-)-form.、U.S. Production: Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 2、3-Butanediol:、Table: National Aggregate Production Volume (pounds) [Table#3185]、General Manufacturing Information: 2、3-Butanediol: ACTIVE。
2,3-丁二醇 是一种化工化合物，登记 CAS 号为 513-85-9，分子式 C4H10O2（分子量 90.12）。
登记 CAS 号：513-85-9
其分子式 C4H10O2 由 4 个碳、10 个氢、2 个氧 组成。
别名/同义词：2,3-丁二醇 · 2,3-Butanediol
2,3-丁二醇 的 CAS 登记号为 513-85-9。
分子式 C4H10O2，分子量 90.12。
别名/同义词：2,3-丁二醇、2,3-Butanediol。
登记用途：Uses: CIR ingredient: 2、3-Butanediol、Used in resins、as a solvent for dyes、as a blending agent、and as a crosslinking agent for naphthalene-1、5-diisocyanate in the production of specific hard-rubber products、[HSDB]、For 2、3-butanediol (USEPA、OPP Pesticide Code: 642202) 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.、Resins、solvent for dyes、intermediate、blending agent.、2、3-Butanediol (at least 80% meso isomer、the rest racemic mixture) is used as a crosslinking agent for naphthalene-1、5-diisocyanate in the production of specific hard-rubber products (Vulkollan). Derivatives of 2、3-butanediol are important as insecticides (Sapecron: acetal with methylcarbamate of salicylic aldehyde) and as intermediates in the pharmaceutical industry. 2、3-Butanediols have some interest as humectants and in the synthesis of polymers and plasticizers.、Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents、Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern、Methods of Manufacturing: After removal of butadiene and isobutene from crack gases、a C4 hydrocarbon fraction、called C4 raffinate II、is obtained、which contains approximately 77% butenes and 23% of a mixture of butane and isobutane. By chlorohydrination of this fraction with a solution of chlorine in water and subsequent cyclization of the chlorohydrins with sodium hydroxide、a butene oxide mixture of the following composition is obtained: 55% trans-2、3-butene oxide、30% cis-2、and 15% 1、2-butene oxide. Hydrolysis of this mixture (50 bar、160-220 °C、reaction enthalpy deltaH= -42 kJ、mol) yields a mixture of butanediols which is separated by vacuum fractionation. In order to avoid the formation of polyethers during the hydrolysis、an excess of water must be used. ... By this reaction sequence、meso-2、3-butanediol is obtained from trans-2-butene via trans-2、the racemic mixture of R、R- and S、S-2、3-butanediol is formed analogously from cis-2-butene via cis-2、3-butene oxide.、Preparation of D(-)- and L(+)-forms from corresponding D- and L-mannitols.、D(-)- and L(+)-forms、Preparation of meso-form from trans-2、3-epoxybutane and of DL-form from cis-2、3-epoxybutane.、Meso and DL form、Manufacture of D(-)-form by fermentation of carbohydrate solutions with organisms of the Bacillus subtilis group: Vergnaud、United States of America patent 2529061 (1950 to Usines de Melle).、D(-)-form、For more Methods of Manufacturing (Complete) data for 2、3-Butanediol (14 total)、please visit the HSDB record page.、Formulations、Preparations: Grade: 99%、The commercial product is usually either the meso- or the D(-)-form.、U.S. Production: Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 2、3-Butanediol:、Table: National Aggregate Production Volume (pounds) [Table#3185]、General Manufacturing Information: 2、3-Butanediol: ACTIVE。
2,3-丁二醇（CAS 513-85-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 513-85-9 |
|---|---|
| PubChem CID | 262 |
| Molecular formula | C4H10O2 |
| IUPAC name | butane-2,3-diol |
| UNII (FDA) | 45427ZB5IJ |
| Molecular Weight | 90.12 |
|---|---|
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 90.068079557 |
| Monoisotopic Mass | 90.068079557 |
| Topological Polar Surface Area | 40.5 |
| Heavy Atom Count | 6 |
| Boiling Point | BP: 182 °C at 1 atm |
|---|---|
| Boiling Point | 182.00 °C. @ 760.00 mm Hg |
| Melting Point | 19 °C |
| Melting Point | 25 °C |
| Flash Point | 85 °C |
| Flash Point | 85 °C (185 °F) - closed cup |
| Solubility | 1000 mg/mL at 20 °C |
| Density | 1.045 at 20 °C/20 °C |
| Vapor Density | 3.1 (Air = 1) |
| Vapor Pressure | 0.24 [mmHg] |
2,3-butanediol; 513-85-9; Butane-2,3-diol; 2,3-butylene glycol; 2,3-Dihydroxybutane; Dimethylethylene glycol; Pseudobutylene glycol; Sym-dimethylethylene glycol; DTXSID8041321; DTXCID6021321; CHEBI:62064; 45427ZB5IJ; RefChem:441921; 208-173-6; Dimethylene glycol; DL-2,3-Butanediol
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents CIR / INCI: Cosmetic ingredients (2,3-Butanediol) -> CIR (Cosmetic Ingredient Review) |
|---|---|
| GHS notification summary | 94.5% (208 / 220) |
| GHS notification summary | 94.5% (208 / 220) |
|---|---|
| Reported hazard statements | H227 |
This chemical does not meet GHS hazard criteria for 94.5% (208 of 220) of all reports.
Reported as not meeting GHS hazard criteria by 208 of 220 companies (only 5.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
2,3-Butanediol · CAS 513-85-9 · C4H10O2. UNII 45427ZB5IJ. Boiling Point: BP: 182 °C at 1 atm; Boiling Point: 182.00 °C. @ 760.00 mm Hg; Melting Point: 19 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2,3-Butanediol