1,5-Pentanediol (CAS 111-29-5) — formula C5H12O2, molecular weight 104.15; category organic chemicals.
| CAS Number | 111-29-5 |
|---|---|
| Molecular Formula | C5H12O2 |
| Molecular Weight | 104.15 |
| Melting Point | -18 °C |
| Boiling Point | 240 °C |
| LogP | -0.43 |
| Applications | Uses: CIR ingredient: 1, 5-Pentanediol, Used as plasticizer and brake fluid additive, Also used to make polyesters for emulsifying agents and resin intermediates, [Merck Index], For 1, 5-pentanediol (USEPA, OPP Pesticide Code: 690202) 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., 1, 5-Pentanediol is used as a building block in the production of polyesters, thermoplastic polyurethanes, and plasticizers. The linear structure with an uneven number of carbon atoms gives rise to a relatively low viscosity and glass transition temperature (Tg) and good flexibility. 1, 5-Pentanediol is also used as an intermediate for dyes and of pharmaceuticals and pesticides. It can be used, for example, for the production of various heterocyclic compounds, such as 1-methylpiperidine., As a plasticizer in cellulose products and adhesives, in brake fluid compositions. Forms esters and polyesters which can be used as plasticizers, emulsifying agents and resin intermediates., MEDICATION, 5-Pentanediol has been reported to have antimicrobial and antifungal properties in pharmaceutical applications. Additionally, 5-Pentanediol has reported uses in products for hair loss, cold sores, nail problems, dry and scaly feet, and eczema, it can be used as a moisturizing substance and solvent., Industry Uses: Solvent, Intermediate, Consumer Uses: Diluent, Household Products: Information on 19 consumer products that contain 1, 5-Pentanediol in the following categories is provided:, • Home Office, • Inside the Home, • Personal Care, Methods of Manufacturing: 1, 5-Pentanediol usually is produced by catalytic hydrogenation of glutaric acid or of its esters, e.g., dimethyl glutarate, although dicarboxylic acid mixtures containing glutaric acid also may be used, giving typically a mixture of 1, 4-butanediol, 5-pentanediol, and 1, 6-hexanediol., Prepd by hydrogenolysis of tetrahydrofurfuryl alcohol in the presence of copper chromite., Impurities: A gas chromatographic, mass-spectrometry analysis was performed to determine the impurities in 1, 5-Pentanediol. 1, 5-Pentanediol was found to be 98.1% pure with a total of 0.28% unknown impurities, stated by the authors not to be diols. Contamination by water, 5-hexanediol, 6-Hexanediol was found to be 0.02%, 1.02%, and 0.56%, respectively. Other diol impurities, including 1, 4-Butanediol, 2, 5-Hexanediol, and cyclic diols, were below the limit of detection (< 0.05%)., Formulations, Preparations: Grade: Technical, U.S. Production: 2023: 2, 500, 000 - <4, 000, 000 lb, 2022: 4, 000 - <5, 2021: 4, 2020: 2, Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 5-Pentanediol. National Production Volume: Withheld., Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 5-Pentanediol:, Table: National Aggregate Production Volume (pounds) [Table#6305], General Manufacturing Information: Printing Ink Manufacturing, Plastics Material and Resin Manufacturing, 5-Pentanediol: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: CIR ingredient: 1, 5-Pentanediol, Used as plasticizer and brake fluid additive, Also used to make polyesters for emulsifying agents and resin intermediates, [Merck Index], For 1, 5-pentanediol (USEPA, OPP Pesticide Code: 690202) 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., 1, 5-Pentanediol is used as a building block in the production of polyesters, thermoplastic polyurethanes, and plasticizers. The linear structure with an uneven number of carbon atoms gives rise to a relatively low viscosity and glass transition temperature (Tg) and good flexibility. 1, 5-Pentanediol is also used as an intermediate for dyes and of pharmaceuticals and pesticides. It can be used, for example, for the production of various heterocyclic compounds, such as 1-methylpiperidine., As a plasticizer in cellulose products and adhesives, in brake fluid compositions. Forms esters and polyesters which can be used as plasticizers, emulsifying agents and resin intermediates., MEDICATION, 5-Pentanediol has been reported to have antimicrobial and antifungal properties in pharmaceutical applications. Additionally, 5-Pentanediol has reported uses in products for hair loss, cold sores, nail problems, dry and scaly feet, and eczema, it can be used as a moisturizing substance and solvent., Industry Uses: Solvent, Intermediate, Consumer Uses: Diluent, Household Products: Information on 19 consumer products that contain 1, 5-Pentanediol in the following categories is provided:, • Home Office, • Inside the Home, • Personal Care, Methods of Manufacturing: 1, 5-Pentanediol usually is produced by catalytic hydrogenation of glutaric acid or of its esters, e.g., dimethyl glutarate, although dicarboxylic acid mixtures containing glutaric acid also may be used, giving typically a mixture of 1, 4-butanediol, 5-pentanediol, and 1, 6-hexanediol., Prepd by hydrogenolysis of tetrahydrofurfuryl alcohol in the presence of copper chromite., Impurities: A gas chromatographic, mass-spectrometry analysis was performed to determine the impurities in 1, 5-Pentanediol. 1, 5-Pentanediol was found to be 98.1% pure with a total of 0.28% unknown impurities, stated by the authors not to be diols. Contamination by water, 5-hexanediol, 6-Hexanediol was found to be 0.02%, 1.02%, and 0.56%, respectively. Other diol impurities, including 1, 4-Butanediol, 2, 5-Hexanediol, and cyclic diols, were below the limit of detection (< 0.05%)., Formulations, Preparations: Grade: Technical, U.S. Production: 2023: 2, 500, 000 - <4, 000, 000 lb, 2022: 4, 000 - <5, 2021: 4, 2020: 2, Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 5-Pentanediol. National Production Volume: Withheld., Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 5-Pentanediol:, Table: National Aggregate Production Volume (pounds) [Table#6305], General Manufacturing Information: Printing Ink Manufacturing, Plastics Material and Resin Manufacturing, 5-Pentanediol: ACTIVE.
1,5-Pentanediol is a carbon-based organic compound with CAS registry number 111-29-5 and molecular formula C5H12O2 (molecular weight 104.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 111-29-5
Its molecular formula C5H12O2 comprises 5 C, 12 H, 2 O atoms.
Also known as: 1,5-Pentanediol · 1,5-戊二醇
Category: organic chemicals
The CAS registry number of 1,5-Pentanediol is 111-29-5.
Molecular formula C5H12O2, molecular weight 104.15.
It is also registered under: 1,5-Pentanediol, 1,5-戊二醇.
Recorded applications: Uses: CIR ingredient: 1, 5-Pentanediol, Used as plasticizer and brake fluid additive, Also used to make polyesters for emulsifying agents and resin intermediates, [Merck Index], For 1, 5-pentanediol (USEPA, OPP Pesticide Code: 690202) 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., 1, 5-Pentanediol is used as a building block in the production of polyesters, thermoplastic polyurethanes, and plasticizers. The linear structure with an uneven number of carbon atoms gives rise to a relatively low viscosity and glass transition temperature (Tg) and good flexibility. 1, 5-Pentanediol is also used as an intermediate for dyes and of pharmaceuticals and pesticides. It can be used, for example, for the production of various heterocyclic compounds, such as 1-methylpiperidine., As a plasticizer in cellulose products and adhesives, in brake fluid compositions. Forms esters and polyesters which can be used as plasticizers, emulsifying agents and resin intermediates., MEDICATION, 5-Pentanediol has been reported to have antimicrobial and antifungal properties in pharmaceutical applications. Additionally, 5-Pentanediol has reported uses in products for hair loss, cold sores, nail problems, dry and scaly feet, and eczema, it can be used as a moisturizing substance and solvent., Industry Uses: Solvent, Intermediate, Consumer Uses: Diluent, Household Products: Information on 19 consumer products that contain 1, 5-Pentanediol in the following categories is provided:, • Home Office, • Inside the Home, • Personal Care, Methods of Manufacturing: 1, 5-Pentanediol usually is produced by catalytic hydrogenation of glutaric acid or of its esters, e.g., dimethyl glutarate, although dicarboxylic acid mixtures containing glutaric acid also may be used, giving typically a mixture of 1, 4-butanediol, 5-pentanediol, and 1, 6-hexanediol., Prepd by hydrogenolysis of tetrahydrofurfuryl alcohol in the presence of copper chromite., Impurities: A gas chromatographic, mass-spectrometry analysis was performed to determine the impurities in 1, 5-Pentanediol. 1, 5-Pentanediol was found to be 98.1% pure with a total of 0.28% unknown impurities, stated by the authors not to be diols. Contamination by water, 5-hexanediol, 6-Hexanediol was found to be 0.02%, 1.02%, and 0.56%, respectively. Other diol impurities, including 1, 4-Butanediol, 2, 5-Hexanediol, and cyclic diols, were below the limit of detection (< 0.05%)., Formulations, Preparations: Grade: Technical, U.S. Production: 2023: 2, 500, 000 - <4, 000, 000 lb, 2022: 4, 000 - <5, 2021: 4, 2020: 2, Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 5-Pentanediol. National Production Volume: Withheld., Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 5-Pentanediol:, Table: National Aggregate Production Volume (pounds) [Table#6305], General Manufacturing Information: Printing Ink Manufacturing, Plastics Material and Resin Manufacturing, 5-Pentanediol: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 1,5-Pentanediol (CAS 111-29-5), compiled from public chemistry databases.
| CAS Registry Number | 111-29-5 |
|---|---|
| PubChem CID | 8105 |
| Molecular formula | C5H12O2 |
| IUPAC name | pentane-1,5-diol |
| UNII (FDA) | 07UXZ0SCST |
| Molecular Weight | 104.15 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 104.083729621 |
| Monoisotopic Mass | 104.083729621 |
| Topological Polar Surface Area | 40.5 |
| Heavy Atom Count | 7 |
| Boiling Point | 240 °C |
|---|---|
| Boiling Point | 239 °C @760 [mm Hg] |
| Melting Point | -18 °C |
| Flash Point | 129 °C (265 °F) (open cup) |
| Flash Point | 136 °C (277 °F) - closed cup |
| Density | 0.9941 g/cm cu at 20 °C; 0.9858 g/cm cu at 25 °C |
| Density | 0.994 @ 20°C |
| Vapor Pressure | 0.0039 [mmHg] |
| Vapor Pressure | 3.90X10-3 mm Hg at 25 °C |
| LogP | -0.43 |
1,5-PENTANEDIOL; Pentane-1,5-diol; 111-29-5; 1,5-Dihydroxypentane; Pentamethylene glycol; 1,5-Pentamethylene glycol; 1,5-Pentylene glycol; alpha,omega-Pentanediol; DTXSID2041256; 07UXZ0SCST; NSC-5927; DTXCID0021256; RefChem:73549; 203-854-4; 1,5 Pentanediol; NSC 5927
| Regulatory & Food Contact | CIR / INCI: Cosmetic ingredients (1,5-Pentanediol) -> CIR (Cosmetic Ingredient Review) |
|---|---|
| GHS notification summary | 84.9% (275 / 324) |
| GHS notification summary | 84.9% (275 / 324) |
|---|---|
| Reported hazard statements | H302 (15.1%) |
This chemical does not meet GHS hazard criteria for 84.9% (275 of 324) of all reports.
H302 (15.1%): Harmful if swallowed [Warning Acute toxicity, oral]
1,5-Pentanediol · CAS 111-29-5 · C5H12O2. UNII 07UXZ0SCST. Boiling Point: 240 °C; Boiling Point: 239 °C @760 [mm Hg]; Melting Point: -18 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,5-戊二醇