benzo[1,3]dioxole-5-carbaldehyde (CAS 30024-74-9) — formula C8H6O3, molecular weight 150.13; category organic chemicals.
| CAS Number | 30024-74-9 |
|---|---|
| Molecular Formula | C8H6O3 |
| Molecular Weight | 150.13 |
| Melting Point | 99 °F (NTP, 1992) |
| Boiling Point | 505 °F at 760 mmHg (NTP, 1992) |
| LogP | 1.1 |
| Applications | Uses: Found in various essential oils, Used in fragrances, flavoring agents, and suntan preparations, Also used as a mosquito repellent, laboratory reagent, organic intermediate, and synergist for pyrethrum and rotenone, [HSDB], Farming (Pesticides) [Category: Industry], Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#1679], Has been used as pediculicide, Perfumery, suntan preparations, mosquito repellent, flavoring., In perfumery, in cherry and vanilla flavors, in organic syntheses., For more Uses (Complete) data for Piperonal (7 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Skin conditioning, Masking, DEA Listed Chemicals: Piperonal, A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02), Industry Uses: Flavoring and nutrient, Fragrance, Consumer Uses: Fragrance, Household Products: Information on 91 consumer products that contain Heliotropine in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pesticides, Methods of Manufacturing: Piperonal (3, 4-methylenedioxybenzaldehyde) is prepared in 94% yield via ozonolysis and reduction of isosafrole., By the oxidation of isosafrole with potassium dichromate and sulfuric acid and subsequent steam distillation of piperonal., Derivation: By oxidation of isosafrole., The biotransformation of isosafrole by Cladosporium sphaerospermum yielded piperonal, which is a compound of great commercial importance in the flavor and fragrance industries. The experiments were performed in 500-mL conical flasks containing 100 mL of Czapek-modified medium in an orbital shaker with controlled agitation and temperature. Spores of C. sphaerospermum were used as inocula, and after 96 hr of incubation the substrate was added to the culture. Samples of 2 mL were withdrawn at 24-hr intervals and analyzed by gas chromatography, (GC) and, or GC, MS spectroscopy., For more Methods of Manufacturing (Complete) data for Piperonal (8 total), Formulations, Preparations: Grade: Technical, FCC., Consumption Patterns: APPROXIMATELY 6.8X10+7 G AS A FRAGRANCE INGREDIENT (1974), U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 8, 2020: 8, (1972) 5.63X10+7 G, (1975) GREATER THAN 4.54X10+5 G, Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Piperonal:, Table: National Aggregate Production Volume (pounds) [Table#1678], U.S. Imports: (1972) 8.92X10+7 G, (1975) 5.97X10+7 G, (1983) 5.0X10+6 g, U.S. Exports: (1984) 1.5X10+9 g, HELIOTROPIN, EUGENOL, GERANIOL, CITRONELLAL, ISOEUGENOL AND HYDROXYCITRONELLAL, General Manufacturing Information: Food, beverage, and tobacco product manufacturing, All Other Basic Organic Chemical Manufacturing, Not Known or Reasonably Ascertainable, All Other Chemical Product and Preparation Manufacturing, 1, 3-Benzodioxole-5-carboxaldehyde: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: Found in various essential oils, Used in fragrances, flavoring agents, and suntan preparations, Also used as a mosquito repellent, laboratory reagent, organic intermediate, and synergist for pyrethrum and rotenone, [HSDB], Farming (Pesticides) [Category: Industry], Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#1679], Has been used as pediculicide, Perfumery, suntan preparations, mosquito repellent, flavoring., In perfumery, in cherry and vanilla flavors, in organic syntheses., For more Uses (Complete) data for Piperonal (7 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Skin conditioning, Masking, DEA Listed Chemicals: Piperonal, A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02), Industry Uses: Flavoring and nutrient, Fragrance, Consumer Uses: Fragrance, Household Products: Information on 91 consumer products that contain Heliotropine in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pesticides, Methods of Manufacturing: Piperonal (3, 4-methylenedioxybenzaldehyde) is prepared in 94% yield via ozonolysis and reduction of isosafrole., By the oxidation of isosafrole with potassium dichromate and sulfuric acid and subsequent steam distillation of piperonal., Derivation: By oxidation of isosafrole., The biotransformation of isosafrole by Cladosporium sphaerospermum yielded piperonal, which is a compound of great commercial importance in the flavor and fragrance industries. The experiments were performed in 500-mL conical flasks containing 100 mL of Czapek-modified medium in an orbital shaker with controlled agitation and temperature. Spores of C. sphaerospermum were used as inocula, and after 96 hr of incubation the substrate was added to the culture. Samples of 2 mL were withdrawn at 24-hr intervals and analyzed by gas chromatography, (GC) and, or GC, MS spectroscopy., For more Methods of Manufacturing (Complete) data for Piperonal (8 total), Formulations, Preparations: Grade: Technical, FCC., Consumption Patterns: APPROXIMATELY 6.8X10+7 G AS A FRAGRANCE INGREDIENT (1974), U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 8, 2020: 8, (1972) 5.63X10+7 G, (1975) GREATER THAN 4.54X10+5 G, Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Piperonal:, Table: National Aggregate Production Volume (pounds) [Table#1678], U.S. Imports: (1972) 8.92X10+7 G, (1975) 5.97X10+7 G, (1983) 5.0X10+6 g, U.S. Exports: (1984) 1.5X10+9 g, HELIOTROPIN, EUGENOL, GERANIOL, CITRONELLAL, ISOEUGENOL AND HYDROXYCITRONELLAL, General Manufacturing Information: Food, beverage, and tobacco product manufacturing, All Other Basic Organic Chemical Manufacturing, Not Known or Reasonably Ascertainable, All Other Chemical Product and Preparation Manufacturing, 1, 3-Benzodioxole-5-carboxaldehyde: ACTIVE.
benzo[1,3]dioxole-5-carbaldehyde is a carbon-based organic compound with CAS registry number 30024-74-9 and molecular formula C8H6O3 (molecular weight 150.13), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 30024-74-9
Its molecular formula C8H6O3 comprises 8 C, 6 H, 3 O atoms.
Also known as: benzo[1,3]dioxole-5-carbaldehyde · 苯并[1,3]间二氧杂环戊烯-5-甲醛
Category: organic chemicals
The CAS registry number of benzo[1,3]dioxole-5-carbaldehyde is 30024-74-9.
Molecular formula C8H6O3, molecular weight 150.13.
It is also registered under: benzo[1,3]dioxole-5-carbaldehyde, 苯并[1,3]间二氧杂环戊烯-5-甲醛.
Recorded applications: Uses: Found in various essential oils, Used in fragrances, flavoring agents, and suntan preparations, Also used as a mosquito repellent, laboratory reagent, organic intermediate, and synergist for pyrethrum and rotenone, [HSDB], Farming (Pesticides) [Category: Industry], Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#1679], Has been used as pediculicide, Perfumery, suntan preparations, mosquito repellent, flavoring., In perfumery, in cherry and vanilla flavors, in organic syntheses., For more Uses (Complete) data for Piperonal (7 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Skin conditioning, Masking, DEA Listed Chemicals: Piperonal, A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02), Industry Uses: Flavoring and nutrient, Fragrance, Consumer Uses: Fragrance, Household Products: Information on 91 consumer products that contain Heliotropine in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pesticides, Methods of Manufacturing: Piperonal (3, 4-methylenedioxybenzaldehyde) is prepared in 94% yield via ozonolysis and reduction of isosafrole., By the oxidation of isosafrole with potassium dichromate and sulfuric acid and subsequent steam distillation of piperonal., Derivation: By oxidation of isosafrole., The biotransformation of isosafrole by Cladosporium sphaerospermum yielded piperonal, which is a compound of great commercial importance in the flavor and fragrance industries. The experiments were performed in 500-mL conical flasks containing 100 mL of Czapek-modified medium in an orbital shaker with controlled agitation and temperature. Spores of C. sphaerospermum were used as inocula, and after 96 hr of incubation the substrate was added to the culture. Samples of 2 mL were withdrawn at 24-hr intervals and analyzed by gas chromatography, (GC) and, or GC, MS spectroscopy., For more Methods of Manufacturing (Complete) data for Piperonal (8 total), Formulations, Preparations: Grade: Technical, FCC., Consumption Patterns: APPROXIMATELY 6.8X10+7 G AS A FRAGRANCE INGREDIENT (1974), U.S. Production: 2023: 8, 500, 000 - <10, 000, 000 lb, 2022: 8, 2021: 8, 2020: 8, (1972) 5.63X10+7 G, (1975) GREATER THAN 4.54X10+5 G, Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Piperonal:, Table: National Aggregate Production Volume (pounds) [Table#1678], U.S. Imports: (1972) 8.92X10+7 G, (1975) 5.97X10+7 G, (1983) 5.0X10+6 g, U.S. Exports: (1984) 1.5X10+9 g, HELIOTROPIN, EUGENOL, GERANIOL, CITRONELLAL, ISOEUGENOL AND HYDROXYCITRONELLAL, General Manufacturing Information: Food, beverage, and tobacco product manufacturing, All Other Basic Organic Chemical Manufacturing, Not Known or Reasonably Ascertainable, All Other Chemical Product and Preparation Manufacturing, 1, 3-Benzodioxole-5-carboxaldehyde: ACTIVE.
Category: Organic Chemicals.
Independent reference data for benzo[1,3]dioxole-5-carbaldehyde (CAS 30024-74-9), compiled from public chemistry databases.
| CAS 号 | 30024-74-9 |
|---|---|
| PubChem CID | 8438 |
| 分子式 | C8H6O3 |
| IUPAC 名称 | 1,3-benzodioxole-5-carbaldehyde |
| UNII（FDA） | KE109YAK00 |
| FEMA 编号 | 2911 |
| JECFA 编号 | 896 |
| Molecular Weight | 150.13 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 150.031694049 |
| Monoisotopic Mass | 150.031694049 |
| Topological Polar Surface Area | 35.5 |
| Heavy Atom Count | 11 |
| Boiling Point | 505 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 263 °C |
| Boiling Point | BP: 88 °C at 0.5 mm Hg |
| Boiling Point | 263.00 to 265.00 °C. @ 760.00 mm Hg |
| Melting Point | 99 °F (NTP, 1992) |
| Melting Point | 37 °C |
| Melting Point | MP: 35.5-37 °C |
| Solubility | In water, 3.5X10+3 mg/L at 20 °C |
| Solubility | 3.5 mg/mL at 20 °C |
| Vapor Pressure | 1 mmHg at 189 °F (NTP, 1992) |
PIPERONAL; 120-57-0; Heliotropin; Heliotropine; Piperonyl aldehyde; Piperonaldehyde; 1,3-Benzodioxole-5-carbaldehyde; Piperonylaldehyde; Geliotropin; 3,4-Methylenedioxybenzaldehyde; 1,3-Benzodioxole-5-carboxaldehyde; 3,4-(Methylenedioxy)benzaldehyde; 5-Formyl-1,3-benzodioxole; Protocatechuic aldehyde methylene ether; 3,4-Dihydroxybenzaldehyde methylene ketal; 3,4-Dimethylenedioxybenzaldehyde
| 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 Anise JECFA ADI: 0-2.5 mg/kg bw (1967) |
|---|---|
| GHS 通报统计 | 15.9% (329 / 2063) |
| GHS 通报统计 | 15.9% (329 / 2063) |
|---|---|
| 已通报的危害声明 | H317 (81.6%), H301, H312, H330, H336, H351, H360, H370 |
苯并[1,3]间二氧杂环戊烯-5-甲醛 · CAS 30024-74-9 · C8H6O3. UNII KE109YAK00. Boiling Point: 505 °F at 760 mmHg (NTP, 1992); Boiling Point: 263 °C; Boiling Point: BP: 88 °C at 0.5 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯并[1,3]间二氧杂环戊烯-5-甲醛