Furaneol natural (CAS 3658-77-3) — formula C6H8O3, molecular weight 128.13; category organic chemicals.
Documented applications: Uses: For 4-hydroxy-2, 5-dimethyl-3-(2H)furanone (USEPA, OPP Pesticide Code: 127501) 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., Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8337], Flavoring of foods, Cigarette additive, MEDICATION, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Tonic, Consumer Uses: Fragrance, Household Products: Information on 16 consumer products that contain Dimethylhydroxy Furanone in the following categories is provided:, • Auto Products, • Inside the Home, • Personal Care, Methods of Manufacturing: From dimethyl-3, 4-dihydroxyfuran-2, 5-dicarboxylate., ... manufactured in a multistep bioprocess from rhamnose., It is synthesized by the reaction of hex-3-yne-2, 5-diol with ozone and subsequent reductive work-up. ... The hexane-2, 5-diol-3, 4-dione formed in the oxidation step is then cyclized in a separate step to form furaneol., IFRA Fragrance Standards: 4-Hydroxy-2, 5-dimethyl-3(2H)-furanone, 3(2H)-Furanone, 4-hydroxy-2, 5-dimethyl-, 2, 5-Dimethyl-4-hydroxy-2, 3-dihydrofuran-3-one, 4-Hydroxy-2, 5-dimethylfuran-3(2H)-one, Dimethylhydroxy furanone, Strawberry furanone, Furaneol (Commercial name), Neofuraneol (Commercial name), Pineapple compound (Commercial name), IFRA_STD_201.pdf, 49, IFRA 51st Amendment - Guidance for the use of IFRA Standards, Restriction: This material should be used only in the limited quantity as stated in the Standard, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., Restriction Limits in the Finished Product (%): 0.045 [Products applied to the lips], 0.014 [Products applied to the axillae], 0.27 [Products applied to the face, body using fingertips], 0.25 [Products related to fine fragrances], 0.064 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.064 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.064 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.021 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.15 [Products with oral and lip exposure], 0.52 [Rinse-off products applied to the hair with some hand contact], 0.52 [Leave-on products applied to the hair with some hand contact], 0.021 [Products with significant anogenital exposure (tampon)], 0.49 [Products with body and hand exposure, primarily rinse off], 0.49 [Household care products with mostly hand contact (excluding aerosol, spray products)], 1.8 [Household care products with mostly hand contact (household aerosol, 0.021 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.021 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], No Restriction [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], U.S. Production: 2023: <75, 000 lb, 2022: <75, 2021: <75, 2020: <75, General Manufacturing Information: 3(2H)-Furanone, 5-dimethyl-: ACTIVE.
Furaneol natural is a carbon-based organic compound with CAS registry number 3658-77-3 and molecular formula C6H8O3 (molecular weight 128.13), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3658-77-3
Its molecular formula C6H8O3 comprises 6 C, 8 H, 3 O atoms.
Also known as: Furaneol natural · 4-Hydroxy-2,5-Dimethyl-3(2h)-Furanone · Furaneol
Category: organic chemicals
The CAS registry number of Furaneol natural is 3658-77-3.
Molecular formula C6H8O3, molecular weight 128.13.
It is also registered under: Furaneol natural, 4-Hydroxy-2,5-Dimethyl-3(2h)-Furanone, Furaneol.
Recorded applications: Uses: For 4-hydroxy-2, 5-dimethyl-3-(2H)furanone (USEPA, OPP Pesticide Code: 127501) 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., Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8337], Flavoring of foods, Cigarette additive, MEDICATION, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Tonic, Consumer Uses: Fragrance, Household Products: Information on 16 consumer products that contain Dimethylhydroxy Furanone in the following categories is provided:, • Auto Products, • Inside the Home, • Personal Care, Methods of Manufacturing: From dimethyl-3, 4-dihydroxyfuran-2, 5-dicarboxylate., ... manufactured in a multistep bioprocess from rhamnose., It is synthesized by the reaction of hex-3-yne-2, 5-diol with ozone and subsequent reductive work-up. ... The hexane-2, 5-diol-3, 4-dione formed in the oxidation step is then cyclized in a separate step to form furaneol., IFRA Fragrance Standards: 4-Hydroxy-2, 5-dimethyl-3(2H)-furanone, 3(2H)-Furanone, 4-hydroxy-2, 5-dimethyl-, 2, 5-Dimethyl-4-hydroxy-2, 3-dihydrofuran-3-one, 4-Hydroxy-2, 5-dimethylfuran-3(2H)-one, Dimethylhydroxy furanone, Strawberry furanone, Furaneol (Commercial name), Neofuraneol (Commercial name), Pineapple compound (Commercial name), IFRA_STD_201.pdf, 49, IFRA 51st Amendment - Guidance for the use of IFRA Standards, Restriction: This material should be used only in the limited quantity as stated in the Standard, DERMAL SENSITIZATION AND SYSTEMIC TOXICITY, Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards., Restriction Limits in the Finished Product (%): 0.045 [Products applied to the lips], 0.014 [Products applied to the axillae], 0.27 [Products applied to the face, body using fingertips], 0.25 [Products related to fine fragrances], 0.064 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.064 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.064 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.021 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.15 [Products with oral and lip exposure], 0.52 [Rinse-off products applied to the hair with some hand contact], 0.52 [Leave-on products applied to the hair with some hand contact], 0.021 [Products with significant anogenital exposure (tampon)], 0.49 [Products with body and hand exposure, primarily rinse off], 0.49 [Household care products with mostly hand contact (excluding aerosol, spray products)], 1.8 [Household care products with mostly hand contact (household aerosol, 0.021 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.021 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], No Restriction [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], U.S. Production: 2023: <75, 000 lb, 2022: <75, 2021: <75, 2020: <75, General Manufacturing Information: 3(2H)-Furanone, 5-dimethyl-: ACTIVE.
Category: Organic Chemicals.
Public-database records for Furaneol natural (CAS 3658-77-3), reproduced here for independent cross-checking.
| GHS notification summary | 0.1% (1 / 1843) |
|---|---|
| Reported hazard statements | H302 (28.5%), H317 (80.1%), H319 (71.7%) |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1843) of reports.
H302 (28.5%): Harmful if swallowed [Warning Acute toxicity, oral]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Burnt, Caramel, Cotton Candy, Honey No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1843) |
| 沸点 | 216 °C |
|---|---|
| 熔点 | 77-79 °C |
| 熔点 | 77 - 78 °C |
| 溶解度 | In water, 0.315 g/mL at 25 °C |
| Vapor 密度 | 3.3 (Air = 1) |
| 蒸气压 | 0.008 mm Hg at 25 °C |
| LogP | log Kow = 0.95 at 20 °C |
| Dissociation Constants | pKa = 8.56 at 20 °C |
| CAS Registry Number | 3658-77-3 |
|---|---|
| PubChem CID | 19309 |
| 分子式 | C6H8O3 |
| IUPAC 名称 | 4-hydroxy-2,5-dimethylfuran-3-one |
| UNII（FDA） | 20PI8YZP7A |
| FEMA 编号 | 3174 |
| JECFA 编号 | 1446 |
Furaneol; 3658-77-3; 4-hydroxy-2,5-dimethylfuran-3(2H)-one; 2,5-Dimethyl-4-hydroxy-3(2H)-furanone; 4-Hydroxy-2,5-dimethyl-3(2H)-furanone; 4-Hydroxy-2,5-dimethyl-3(2H)furanone; Alletone; Pineapple ketone; Dimethylhydroxy furanone; Strawberry furanone; 4-hydroxy-2,5-dimethylfuran-3-one; 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-; Coe 536; 2,5-Dimethyl-4-hydroxy-2,3-dihydrofuran-3-one; FEMA No. 3174; 2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran
| 分子量 | 128.13 |
|---|---|
| XLogP3 | 0.7 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 0 |
| 精确质量 | 128.047344113 |
| 单同位素质量 | 128.047344113 |
| 拓扑极性表面积 | 46.5 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
Furaneol · CAS 3658-77-3 · C6H8O3. UNII 20PI8YZP7A. 沸点: 216 °C; 熔点: 77-79 °C; 熔点: 77 - 78 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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