1,3-丁二醇（CAS 107-88-0）：分子式 C4H10O2、分子量 90.12。
| CAS号 | 107-88-0 |
|---|---|
| 分子式 | C4H10O2 |
| 分子量 | 90.12 |
| 熔点 | < -50 °C |
| 沸点 | 207.5 °C |
| LogP | -0.4 |
| 应用领域 | Uses: CIR ingredient: Butylene Glycol、Used as an intermediate in the manufacture of polyester plasticizers、as a humectant for cellophane and tobacco、in polyurethanes and special polyester resins、in surface active agents、as a coupling agent、as a solvent、as a food additive and flavoring、in the cosmetics and pharmaceutical industries as a glycerin substitute、for deicing of aircraft、[HSDB]、For 1、3-butanediol (USEPA、OPP Pesticide Code: 042205) 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.、The active ingredient is no longer contained in any registered pesticide products ... "cancelled."、Intermediate in manufacture of polyester plasticizers、humectant for cellophane、tobacco. Has some mold inhibiting action.、Polyesters、polyurethanes、surface active agents、plasticizers、humectant、coupling agent、solvent、food additive、flavoring.、For more Uses (Complete) data for 1、3-BUTANEDIOL (9 total)、please visit the HSDB record page.、1、3-Butanediol is found in pepper (c. annuum). It is commonly used as a solvent for food flavouring agents and is a co-monomer used in certain polyurethane and polyester resins. In biology、3-butanediol is used as a hypoglycaemic agent.、Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents、Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern、Fragrance Ingredients、Food Additives -> CARRIER_SOLVENT -> JECFA Functional Classes、Cosmetics -> Solvent、Humectant、Industry Uses: Solvent、Monomers、Adhesion、cohesion promoter、Intermediate、Consumer Uses: Solvent、Household Products: Information on 219 consumer products that contain Butylene glycol in the following categories is provided:、• Auto Products、• Inside the Home、• Personal Care、Methods of Manufacturing: Acetaldol is prepared by acetaldehyde self-condensation in aqueous alkaline solutions. Acetaldehyde conversion cannot be carried higher than 66.6% because aldol and acetaldehyde combine to yield 2、6-dimethyl-1、3-dioxan-4-ol. The bound acetaldehyde is held so tenaciously that most commercial aldol is essentially equivalent to 2、3-dioxan-4-ol: Higher condensation products are often present. It is difficult to decompose 2、3-dioxan-4-ol into aldol without simultaneously dehydrating it to crotonaldehyde. Steam stripping is one of the most practical ways of removing the bound acetaldehyde. Aldol is led directly to a hydrogenation system where it is reduced in the presence of Raney nickel or other catalysts. Any of the acetaldehyde or 2、3-dioxan-4-ol left is reduced to ethanol and 2、4-dimethyl-1、3-dioxane、both of which are efficiency losses for the process. Low-boilers are striped from the hydrogenated product and pure 1、3-butylene glycol is obtained by distillation under reduced pressure.、Usually prepared by catalytic hydrogenation of aldol using Raney nickel.、From formaldehyde and propylene via pressure and a catalyst.、3-Butylene glycol can be recovered as a by-product of ethyl acetate manufactured through the Tischenko reaction of acetaldehyde.、Impurities: Crude diol often contains acetaldehyde、butyraldehyde、crotonaldehyde、various oligomers of the aldehydes、as well as several acetals.、U.S. Production: 2023: 25、000、000 - <40、000 lb、2022: 40、000 - <55、2021: 40、2020: 25、3-Butanediol is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and、or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B、51FR21438).、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Plastics Material and Resin Manufacturing、All Other Chemical Product and Preparation Manufacturing、3-Butanediol: ACTIVE、3-Butylene glycol efficient antimicrobial agent、inhibiting gram-neg & gram-pos microorganisms、molds & yeasts. It is not sporicidal.、Produced as an intermediate in the manufacture of butadiene from acetadol. This process has、however、been abandoned by most companies. |
登记用途：Uses: CIR ingredient: Butylene Glycol、Used as an intermediate in the manufacture of polyester plasticizers、as a humectant for cellophane and tobacco、in polyurethanes and special polyester resins、in surface active agents、as a coupling agent、as a solvent、as a food additive and flavoring、in the cosmetics and pharmaceutical industries as a glycerin substitute、for deicing of aircraft、[HSDB]、For 1、3-butanediol (USEPA、OPP Pesticide Code: 042205) 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.、The active ingredient is no longer contained in any registered pesticide products ... "cancelled."、Intermediate in manufacture of polyester plasticizers、humectant for cellophane、tobacco. Has some mold inhibiting action.、Polyesters、polyurethanes、surface active agents、plasticizers、humectant、coupling agent、solvent、food additive、flavoring.、For more Uses (Complete) data for 1、3-BUTANEDIOL (9 total)、please visit the HSDB record page.、1、3-Butanediol is found in pepper (c. annuum). It is commonly used as a solvent for food flavouring agents and is a co-monomer used in certain polyurethane and polyester resins. In biology、3-butanediol is used as a hypoglycaemic agent.、Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents、Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern、Fragrance Ingredients、Food Additives -> CARRIER_SOLVENT -> JECFA Functional Classes、Cosmetics -> Solvent、Humectant、Industry Uses: Solvent、Monomers、Adhesion、cohesion promoter、Intermediate、Consumer Uses: Solvent、Household Products: Information on 219 consumer products that contain Butylene glycol in the following categories is provided:、• Auto Products、• Inside the Home、• Personal Care、Methods of Manufacturing: Acetaldol is prepared by acetaldehyde self-condensation in aqueous alkaline solutions. Acetaldehyde conversion cannot be carried higher than 66.6% because aldol and acetaldehyde combine to yield 2、6-dimethyl-1、3-dioxan-4-ol. The bound acetaldehyde is held so tenaciously that most commercial aldol is essentially equivalent to 2、3-dioxan-4-ol: Higher condensation products are often present. It is difficult to decompose 2、3-dioxan-4-ol into aldol without simultaneously dehydrating it to crotonaldehyde. Steam stripping is one of the most practical ways of removing the bound acetaldehyde. Aldol is led directly to a hydrogenation system where it is reduced in the presence of Raney nickel or other catalysts. Any of the acetaldehyde or 2、3-dioxan-4-ol left is reduced to ethanol and 2、4-dimethyl-1、3-dioxane、both of which are efficiency losses for the process. Low-boilers are striped from the hydrogenated product and pure 1、3-butylene glycol is obtained by distillation under reduced pressure.、Usually prepared by catalytic hydrogenation of aldol using Raney nickel.、From formaldehyde and propylene via pressure and a catalyst.、3-Butylene glycol can be recovered as a by-product of ethyl acetate manufactured through the Tischenko reaction of acetaldehyde.、Impurities: Crude diol often contains acetaldehyde、butyraldehyde、crotonaldehyde、various oligomers of the aldehydes、as well as several acetals.、U.S. Production: 2023: 25、000、000 - <40、000 lb、2022: 40、000 - <55、2021: 40、2020: 25、3-Butanediol is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and、or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B、51FR21438).、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Plastics Material and Resin Manufacturing、All Other Chemical Product and Preparation Manufacturing、3-Butanediol: ACTIVE、3-Butylene glycol efficient antimicrobial agent、inhibiting gram-neg & gram-pos microorganisms、molds & yeasts. It is not sporicidal.、Produced as an intermediate in the manufacture of butadiene from acetadol. This process has、however、been abandoned by most companies.。
1,3-丁二醇 是一种化工化合物，登记 CAS 号为 107-88-0，分子式 C4H10O2（分子量 90.12）。
登记 CAS 号：107-88-0
其分子式 C4H10O2 由 4 个碳、10 个氢、2 个氧 组成。
别名/同义词：1,3-丁二醇 · 1,3-Butanediol · Butylene Glycol · 1,3-BUTYLENE GLYCOL
1,3-丁二醇 的 CAS 登记号为 107-88-0。
分子式 C4H10O2，分子量 90.12。
别名/同义词：1,3-丁二醇、1,3-Butanediol、Butylene Glycol、1,3-BUTYLENE GLYCOL。
登记用途：Uses: CIR ingredient: Butylene Glycol、Used as an intermediate in the manufacture of polyester plasticizers、as a humectant for cellophane and tobacco、in polyurethanes and special polyester resins、in surface active agents、as a coupling agent、as a solvent、as a food additive and flavoring、in the cosmetics and pharmaceutical industries as a glycerin substitute、for deicing of aircraft、[HSDB]、For 1、3-butanediol (USEPA、OPP Pesticide Code: 042205) 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.、The active ingredient is no longer contained in any registered pesticide products ... "cancelled."、Intermediate in manufacture of polyester plasticizers、humectant for cellophane、tobacco. Has some mold inhibiting action.、Polyesters、polyurethanes、surface active agents、plasticizers、humectant、coupling agent、solvent、food additive、flavoring.、For more Uses (Complete) data for 1、3-BUTANEDIOL (9 total)、please visit the HSDB record page.、1、3-Butanediol is found in pepper (c. annuum). It is commonly used as a solvent for food flavouring agents and is a co-monomer used in certain polyurethane and polyester resins. In biology、3-butanediol is used as a hypoglycaemic agent.、Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents、Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern、Fragrance Ingredients、Food Additives -> CARRIER_SOLVENT -> JECFA Functional Classes、Cosmetics -> Solvent、Humectant、Industry Uses: Solvent、Monomers、Adhesion、cohesion promoter、Intermediate、Consumer Uses: Solvent、Household Products: Information on 219 consumer products that contain Butylene glycol in the following categories is provided:、• Auto Products、• Inside the Home、• Personal Care、Methods of Manufacturing: Acetaldol is prepared by acetaldehyde self-condensation in aqueous alkaline solutions. Acetaldehyde conversion cannot be carried higher than 66.6% because aldol and acetaldehyde combine to yield 2、6-dimethyl-1、3-dioxan-4-ol. The bound acetaldehyde is held so tenaciously that most commercial aldol is essentially equivalent to 2、3-dioxan-4-ol: Higher condensation products are often present. It is difficult to decompose 2、3-dioxan-4-ol into aldol without simultaneously dehydrating it to crotonaldehyde. Steam stripping is one of the most practical ways of removing the bound acetaldehyde. Aldol is led directly to a hydrogenation system where it is reduced in the presence of Raney nickel or other catalysts. Any of the acetaldehyde or 2、3-dioxan-4-ol left is reduced to ethanol and 2、4-dimethyl-1、3-dioxane、both of which are efficiency losses for the process. Low-boilers are striped from the hydrogenated product and pure 1、3-butylene glycol is obtained by distillation under reduced pressure.、Usually prepared by catalytic hydrogenation of aldol using Raney nickel.、From formaldehyde and propylene via pressure and a catalyst.、3-Butylene glycol can be recovered as a by-product of ethyl acetate manufactured through the Tischenko reaction of acetaldehyde.、Impurities: Crude diol often contains acetaldehyde、butyraldehyde、crotonaldehyde、various oligomers of the aldehydes、as well as several acetals.、U.S. Production: 2023: 25、000、000 - <40、000 lb、2022: 40、000 - <55、2021: 40、2020: 25、3-Butanediol is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and、or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B、51FR21438).、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Plastics Material and Resin Manufacturing、All Other Chemical Product and Preparation Manufacturing、3-Butanediol: ACTIVE、3-Butylene glycol efficient antimicrobial agent、inhibiting gram-neg & gram-pos microorganisms、molds & yeasts. It is not sporicidal.、Produced as an intermediate in the manufacture of butadiene from acetadol. This process has、however、been abandoned by most companies.。
1,3-丁二醇（CAS 107-88-0）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 107-88-0 |
|---|---|
| PubChem CID | 7896 |
| 分子式 | C4H10O2 |
| 分子量 | 90.07 g/mol |
| IUPAC 名称 | butane-1,3-diol |
| InChIKey | PUPZLCDOIYMWBV-UHFFFAOYSA-N |
| UNII（FDA） | 3XUS85K0RA |
| ChEBI 编号 | CHEBI:52683 |
| Molecular Weight | 90.12 |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 90.068079557 |
| Monoisotopic Mass | 90.068079557 |
| Topological Polar Surface Area | 40.5 |
| Heavy Atom Count | 6 |
| Boiling Point | 207.5 °C |
|---|---|
| Boiling Point | 207.50 °C. @ 760.00 mm Hg |
| Boiling Point | 207.5 °C @760 [mm Hg] |
| Melting Point | < -50 °C |
| Flash Point | 121 °C |
| Solubility | 1000 mg/mL at 25 °C |
| Density | 1.0053 g/cu cm at 20 °C |
| Density | 1.006 @ 20°C |
| Vapor Pressure | 0.02 [mmHg] |
| Vapor Pressure | 0.02 mm Hg at 20 °C |
1,3-BUTANEDIOL; Butane-1,3-diol; 107-88-0; 1,3-Butylene glycol; Butylene glycol; 1,3-Dihydroxybutane; beta-Butylene glycol; Methyltrimethylene glycol; 1-Methyl-1,3-propanediol; 1,3 Butylene glycol; 1,3-Butandiol; (RS)-1,3-Butandiol; 1,3-Butylenglykol; Caswell No. 128GG; DTXSID8026773; NSC-402145
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT, SOLVENT OR VEHICLE FDA 21 CFR 中列出的食品接触物质清单：FCS Flavoring Agents CARRIER_SOLVENT: Food Additives JECFA ADI: 0-4 mg/kg bw |
|---|---|
| GHS 通报统计 | 46.2% (1160 / 2513) |
| GHS 通报统计 | 46.2% (1160 / 2513) |
|---|---|
| 已通报的危害声明 | H226 (51.2%) |
1,3-丁二醇 的 CAS 号为 107-88-0，分子式 C4H10O2，分子量 90.07 g/mol。 UNII 3XUS85K0RA; ChEBI 52683; InChIKey PUPZLCDOIYMWBV-UHFFFAOYSA-N. Boiling Point: 207.5 °C; Boiling Point: 207.50 °C. @ 760.00 mm Hg; Boiling Point: 207.5 °C @760 [mm Hg].
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 1,3-Butanediol