正庚醇（CAS 111-70-6）：分子式 C7H16O、分子量 116.20。
| CAS号 | 111-70-6 |
|---|---|
| 分子式 | C7H16O |
| 分子量 | 116.20 |
| 熔点 | -29 °F (USCG, 1999) |
| 沸点 | 349 °F at 760 mmHg (USCG, 1999) |
| LogP | 2.7 |
| 应用领域 | Uses: Used as an organic intermediate、solvent、and additive in cosmetics、fragrances、and flavoring agents、[HSDB]、In the United States、practically the whole production is processed further to phthalates or adipates、used as plasticizers. ... The alcohol mixtures are used as solvents or solubilizers in the paint and printing ink sector、as components in textile auxiliaries and pesticides、for hormone extraction、and in the surfactant field as foam boosters or antifrothing agents.、C7 alcohol mixtures、Food additive、Org intermediate、cosmetic formulations、1-Heptanol、has little commercial value except in fragrances and as an artificial flavoring agent.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Intermediate、Methods of Manufacturing: Prepared from heptaldehyde by reduction with iron filings in dilute acetic acid. ... Other methods include reaction between pentane and ethylene oxide in presence of anhydrous aluminum bromide: I.G. Farbenind.、French patent 716、604 ... and action of amyl magnesium bromide on ethylene oxide.、By reduction of enanthic aldehyde、which is a distillation product of castor oil.、From 1-hexene by oxo synthesis.、1-Heptanol is made by the oxo process by reacting hexenes with carbon monoxide ...、Formulations、Preparations: C7 alcohol isomeric mixtures、C7-C9-C11 alcohol isomeric mixtures、C7-C8-C9 alcohol isomeric mixtures、Consumption Patterns: Approximately 70-80% are processed into plasticizers.、U.S. Production: 2023: 250、000 - <550、000 lb、2022: 550、000 - <1、000、2021: 250、2020: 550、This chemical is listed as a High Production Volume (HPV) (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).、(1984) 1.28X10+11 g、ALCOHOLS C11 OR LOWER、(1994) >1 million-10 million pounds、(1998) >10 thousand-500 thousand pounds、(2002) >500 thousand-1 million pounds、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Plastics Material and Resin Manufacturing、1-Heptanol: ACTIVE、Heptanol: ACTIVE、Reported found in a few essential oils: hyacinth、violet leaves、Litsea zeylanica.、Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol"、eg、1-heptanol、and the mixtures are called "-yl alcohol、heptyl alcohol、or "iso ... yl alcohol"、isoheptyl alcohol、.、Used in、non-alcoholic beverages 4.14 ppm、ice cream、ices、etc 5.28 ppm、candy 4.38 ppm、baked goods 11.22 ppm.、In addition to C7、C9、C11 mixtures、C7、C9 and C11 fractions also are available. In the United States、used as plasticizers.、Used as a solvent in the wet-process superphosphoric acid extraction by USS Agri-Chemicals |
登记用途：Uses: Used as an organic intermediate、solvent、and additive in cosmetics、fragrances、and flavoring agents、[HSDB]、In the United States、practically the whole production is processed further to phthalates or adipates、used as plasticizers. ... The alcohol mixtures are used as solvents or solubilizers in the paint and printing ink sector、as components in textile auxiliaries and pesticides、for hormone extraction、and in the surfactant field as foam boosters or antifrothing agents.、C7 alcohol mixtures、Food additive、Org intermediate、cosmetic formulations、1-Heptanol、has little commercial value except in fragrances and as an artificial flavoring agent.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Intermediate、Methods of Manufacturing: Prepared from heptaldehyde by reduction with iron filings in dilute acetic acid. ... Other methods include reaction between pentane and ethylene oxide in presence of anhydrous aluminum bromide: I.G. Farbenind.、French patent 716、604 ... and action of amyl magnesium bromide on ethylene oxide.、By reduction of enanthic aldehyde、which is a distillation product of castor oil.、From 1-hexene by oxo synthesis.、1-Heptanol is made by the oxo process by reacting hexenes with carbon monoxide ...、Formulations、Preparations: C7 alcohol isomeric mixtures、C7-C9-C11 alcohol isomeric mixtures、C7-C8-C9 alcohol isomeric mixtures、Consumption Patterns: Approximately 70-80% are processed into plasticizers.、U.S. Production: 2023: 250、000 - <550、000 lb、2022: 550、000 - <1、000、2021: 250、2020: 550、This chemical is listed as a High Production Volume (HPV) (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).、(1984) 1.28X10+11 g、ALCOHOLS C11 OR LOWER、(1994) >1 million-10 million pounds、(1998) >10 thousand-500 thousand pounds、(2002) >500 thousand-1 million pounds、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Plastics Material and Resin Manufacturing、1-Heptanol: ACTIVE、Heptanol: ACTIVE、Reported found in a few essential oils: hyacinth、violet leaves、Litsea zeylanica.、Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol"、eg、1-heptanol、and the mixtures are called "-yl alcohol、heptyl alcohol、or "iso ... yl alcohol"、isoheptyl alcohol、.、Used in、non-alcoholic beverages 4.14 ppm、ice cream、ices、etc 5.28 ppm、candy 4.38 ppm、baked goods 11.22 ppm.、In addition to C7、C9、C11 mixtures、C7、C9 and C11 fractions also are available. In the United States、used as plasticizers.、Used as a solvent in the wet-process superphosphoric acid extraction by USS Agri-Chemicals。
正庚醇 是一种化工化合物，登记 CAS 号为 111-70-6，分子式 C7H16O（分子量 116.20）。
登记 CAS 号：111-70-6
其分子式 C7H16O 由 7 个碳、16 个氢、1 个氧 组成。
别名/同义词：正庚醇 · 1-Heptanol
正庚醇 的 CAS 登记号为 111-70-6。
分子式 C7H16O，分子量 116.20。
别名/同义词：正庚醇、1-Heptanol。
登记用途：Uses: Used as an organic intermediate、solvent、and additive in cosmetics、fragrances、and flavoring agents、[HSDB]、In the United States、practically the whole production is processed further to phthalates or adipates、used as plasticizers. ... The alcohol mixtures are used as solvents or solubilizers in the paint and printing ink sector、as components in textile auxiliaries and pesticides、for hormone extraction、and in the surfactant field as foam boosters or antifrothing agents.、C7 alcohol mixtures、Food additive、Org intermediate、cosmetic formulations、1-Heptanol、has little commercial value except in fragrances and as an artificial flavoring agent.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Intermediate、Methods of Manufacturing: Prepared from heptaldehyde by reduction with iron filings in dilute acetic acid. ... Other methods include reaction between pentane and ethylene oxide in presence of anhydrous aluminum bromide: I.G. Farbenind.、French patent 716、604 ... and action of amyl magnesium bromide on ethylene oxide.、By reduction of enanthic aldehyde、which is a distillation product of castor oil.、From 1-hexene by oxo synthesis.、1-Heptanol is made by the oxo process by reacting hexenes with carbon monoxide ...、Formulations、Preparations: C7 alcohol isomeric mixtures、C7-C9-C11 alcohol isomeric mixtures、C7-C8-C9 alcohol isomeric mixtures、Consumption Patterns: Approximately 70-80% are processed into plasticizers.、U.S. Production: 2023: 250、000 - <550、000 lb、2022: 550、000 - <1、000、2021: 250、2020: 550、This chemical is listed as a High Production Volume (HPV) (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).、(1984) 1.28X10+11 g、ALCOHOLS C11 OR LOWER、(1994) >1 million-10 million pounds、(1998) >10 thousand-500 thousand pounds、(2002) >500 thousand-1 million pounds、General Manufacturing Information: All Other Basic Organic Chemical Manufacturing、Plastics Material and Resin Manufacturing、1-Heptanol: ACTIVE、Heptanol: ACTIVE、Reported found in a few essential oils: hyacinth、violet leaves、Litsea zeylanica.、Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol"、eg、1-heptanol、and the mixtures are called "-yl alcohol、heptyl alcohol、or "iso ... yl alcohol"、isoheptyl alcohol、.、Used in、non-alcoholic beverages 4.14 ppm、ice cream、ices、etc 5.28 ppm、candy 4.38 ppm、baked goods 11.22 ppm.、In addition to C7、C9、C11 mixtures、C7、C9 and C11 fractions also are available. In the United States、used as plasticizers.、Used as a solvent in the wet-process superphosphoric acid extraction by USS Agri-Chemicals。
正庚醇（CAS 111-70-6）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 111-70-6 |
|---|---|
| PubChem CID | 8129 |
| 分子式 | C7H16O |
| 分子量 | 116.12 g/mol |
| IUPAC 名称 | heptan-1-ol |
| InChIKey | BBMCTIGTTCKYKF-UHFFFAOYSA-N |
| UNII（FDA） | 8JQ5607IO5 |
| ChEBI 编号 | CHEBI:43003 |
| FEMA 编号 | 2548 |
| JECFA 编号 | 94 |
| Molecular Weight | 116.20 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 116.120115130 |
| Monoisotopic Mass | 116.120115130 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 8 |
| Boiling Point | 349 °F at 760 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 175.8 °C at 760 mm Hg |
| Boiling Point | 175.00 to 176.00 °C. @ 760.00 mm Hg |
| Boiling Point | 175 °C |
| Boiling Point | 175.8 °C @760 [mm Hg] |
| Melting Point | -29 °F (USCG, 1999) |
| Melting Point | -34.6 °C |
| Melting Point | -34.1 °C |
| Melting Point | -34 °C |
| Flash Point | 170 °F (USCG, 1999) |
1-HEPTANOL; Heptan-1-ol; Heptyl alcohol; Heptanol; n-Heptanol; Enanthic alcohol; Hydroxy heptane; Hydroxyheptane; Hexyl carbinol; C7 alcohol; Pri-n-heptyl alcohol; Heptyl alcohol, primary; 1-heptyl alcohol; FEMA Number 2548; Heptyl alcohol (natural); DTXSID8021937
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent ALCOHOL C-7 No safety concern at current levels of intake when used as a flavouring agent |
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| 已通报的危害声明 | H319 (94.5%), H227, H315 |
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正庚醇 的 CAS 号为 111-70-6，分子式 C7H16O，分子量 116.12 g/mol。 UNII 8JQ5607IO5; ChEBI 43003; InChIKey BBMCTIGTTCKYKF-UHFFFAOYSA-N. Boiling Point: 349 °F at 760 mmHg (USCG, 1999); Boiling Point: 175.8 °C at 760 mm Hg; Boiling Point: 175.00 to 176.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 1-Heptanol