Anethole (CAS 104-46-1) — formula C10H12O, molecular weight 148.20.
| CAS Number | 104-46-1 |
|---|---|
| Molecular Formula | C10H12O |
| Molecular Weight | 148.20 |
| Melting Point | 70.4 °F (NTP, 1992) |
| Boiling Point | 454.1 °F at 760 mmHg (NTP, 1992) |
| LogP | 3.3 |
| Applications | Uses: Chief constituent of anise, star anise, and fennel oils, Used as a flavoring agent (foods, beverages, and drugs) and fragrance (soaps and dentifrices), [Merck Index] Used to make anisaldehyde, as a sensitizer in bleaching colors in photography, an embedding material in microscopy, and an insect attractant, [HSDB], Photographic Processing [Category: Other], The active ingredient is no longer contained in any registered pesticide products ... "cancelled.", MFR ANISALDEHYDE, IN PERFUMERY, SOAP & DENTIFRICES, SENSITIZER IN BLEACHING COLORS IN COLOR PHOTOGRAPHY, AS EMBEDDING MATERIAL IN MICROSCOPY, PHARMACEUTIC AID (FLAVOR), VET: HAS BEEN USED AS A CARMINATIVE & AS A FLAVORING AGENT, AS FLAVOR INGREDIENT, IN LICORICE CANDIES, For more Uses (Complete) data for ANETHOLE (6 total), please visit the HSDB record page., Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 96.6, Use Classification: Fragrance Ingredients, Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Denaturant, Industry Uses: Intermediate, Other, Intermediates, Fragrance, Consumer Uses: Fragrance, Household Products: Cosmetics product ingredient: 1-Methoxy-4-(1E)-1-propen-1-yl-benzene (trans-Anethole) (Anethole), Anethole is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223, 2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)., For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:, https:, www.cdph.ca.gov, Programs, CCDPHP, DEODC, OHB, CSCP, Pages, FragranceAllergens.aspx, Product count: 607, Information on 22 consumer products that contain Anethole in the following categories is provided:, • Auto Products, • Personal Care, Information on 45 consumer products that contain Trans-Anethole in the following categories is provided:, • Commercial, Institutional, • Inside the Home, Methods of Manufacturing: SYNTHESIS BY ESTERIFICATION OF P-CRESOL WITH METHYL ALCOHOL & SUBSEQUENT CONDENSATION WITH ACETALDEHYDE (PERKINS). ...MOST COMMON METHOD...FROM PINE OIL. BY FRACTIONAL DISTILLATION..., OF, ESSENTIAL OILS OF ANISE, STAR ANISE & FENNEL. ...ANISE...CONTAIN...85% ANETHOLE, FENNEL FROM 60 TO 70%., SEPN OF CIS & TRANS ISOMERS: NAVES ET AL, COMPT REND 246: 1734 (1958), BULL SOC CHIM FRANCE 1958, 566, HELY CHIM ACTA 43: 230 (1960), FERRONI ET AL, GAZZ CHIM ITAL 92: 1198 (1962). SYNTHESIS: MUELLER, ROSCHEISEN, BER 90: 543 (1957)., Formulations, Preparations: GRADES: USP (TECHNICAL), FCC (FOOD CHEMICALS CODEX)., U.S. Production: 2023: 2, 063, 610 lb, 2022: 1, 656, 009 lb, 2021: 2, 200, 376 lb, 2020: 1, 612, 064 lb, 2023: 250, 000 - <400, 000 lb, 2022: 400, 000 - <550, 2021: 1, 000, 000 - <2, 500, 2020: 250, (1991) 1, 641, 000 kg, General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, All Other Chemical Product and Preparation Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Benzene, 1-methoxy-4-(1-propen-1-yl)-: ACTIVE, 1-methoxy-4-(1E)-1-propen-1-yl-: ACTIVE, 1-methoxy-4-(propen-1-yl)-: INACTIVE, ...THERE IS REGULAR USE OF COMPOUNDED ESSENTIAL OILS CONSISTING...OF...ANETHOL, IN MFR OF SWEET LIQUEURS, . ... THE EFFECTIVE YIELD OF ANETHOL, BASED ON THE FINISHED LIQUEUR "AS IS" IS APPROX 1:2000., CHIEF CONSTITUENT...ANISE, STAR ANISE & FENNEL OILS: MONAD, DE DORTAN, IND PARFUM 5: 401 (1950), NAVES, TUCAKOV, COMPT REND 248: 843 (1959)., ANISE SEED YIELDS UP TO 3% OF ESSENTIAL OIL HAVING UP TO 90% ANETHOL AS PRINCIPAL CONSTITUENT., FEMA NUMBER 2086. NON-ALCOHOLIC BEVERAGES 11 PPM, ALCOHOLIC BEVERAGES 1, 400 PPM, ICE CREAMS, ICES, ETC 26 PPM, CANDY 340 PPM, BAKED GOODS 150 PPM, & CHEWING GUM 1, 500 PPM., ...PRESENT IN...OIL OF ILLICIUM ANISATUM L...OIL FROM LEAVES OF PIPER PELIPER PELTATUM SUR...ROOTS OF OSMORRHIZA LONGISTYLIS EBERH... OILS OF COMMON FENNEL & BASIL...OILS FROM LEAVES OF CLAUSENA ANISATA HOOK, BACKHOUSIA ANISATA, & MAGNOLIA SALICIFOLIA. |
Documented applications: Uses: Chief constituent of anise, star anise, and fennel oils, Used as a flavoring agent (foods, beverages, and drugs) and fragrance (soaps and dentifrices), [Merck Index] Used to make anisaldehyde, as a sensitizer in bleaching colors in photography, an embedding material in microscopy, and an insect attractant, [HSDB], Photographic Processing [Category: Other], The active ingredient is no longer contained in any registered pesticide products ... "cancelled.", MFR ANISALDEHYDE, IN PERFUMERY, SOAP & DENTIFRICES, SENSITIZER IN BLEACHING COLORS IN COLOR PHOTOGRAPHY, AS EMBEDDING MATERIAL IN MICROSCOPY, PHARMACEUTIC AID (FLAVOR), VET: HAS BEEN USED AS A CARMINATIVE & AS A FLAVORING AGENT, AS FLAVOR INGREDIENT, IN LICORICE CANDIES, For more Uses (Complete) data for ANETHOLE (6 total), please visit the HSDB record page., Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 96.6, Use Classification: Fragrance Ingredients, Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Denaturant, Industry Uses: Intermediate, Other, Intermediates, Fragrance, Consumer Uses: Fragrance, Household Products: Cosmetics product ingredient: 1-Methoxy-4-(1E)-1-propen-1-yl-benzene (trans-Anethole) (Anethole), Anethole is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223, 2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)., For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:, https:, www.cdph.ca.gov, Programs, CCDPHP, DEODC, OHB, CSCP, Pages, FragranceAllergens.aspx, Product count: 607, Information on 22 consumer products that contain Anethole in the following categories is provided:, • Auto Products, • Personal Care, Information on 45 consumer products that contain Trans-Anethole in the following categories is provided:, • Commercial, Institutional, • Inside the Home, Methods of Manufacturing: SYNTHESIS BY ESTERIFICATION OF P-CRESOL WITH METHYL ALCOHOL & SUBSEQUENT CONDENSATION WITH ACETALDEHYDE (PERKINS). ...MOST COMMON METHOD...FROM PINE OIL. BY FRACTIONAL DISTILLATION..., OF, ESSENTIAL OILS OF ANISE, STAR ANISE & FENNEL. ...ANISE...CONTAIN...85% ANETHOLE, FENNEL FROM 60 TO 70%., SEPN OF CIS & TRANS ISOMERS: NAVES ET AL, COMPT REND 246: 1734 (1958), BULL SOC CHIM FRANCE 1958, 566, HELY CHIM ACTA 43: 230 (1960), FERRONI ET AL, GAZZ CHIM ITAL 92: 1198 (1962). SYNTHESIS: MUELLER, ROSCHEISEN, BER 90: 543 (1957)., Formulations, Preparations: GRADES: USP (TECHNICAL), FCC (FOOD CHEMICALS CODEX)., U.S. Production: 2023: 2, 063, 610 lb, 2022: 1, 656, 009 lb, 2021: 2, 200, 376 lb, 2020: 1, 612, 064 lb, 2023: 250, 000 - <400, 000 lb, 2022: 400, 000 - <550, 2021: 1, 000, 000 - <2, 500, 2020: 250, (1991) 1, 641, 000 kg, General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, All Other Chemical Product and Preparation Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Benzene, 1-methoxy-4-(1-propen-1-yl)-: ACTIVE, 1-methoxy-4-(1E)-1-propen-1-yl-: ACTIVE, 1-methoxy-4-(propen-1-yl)-: INACTIVE, ...THERE IS REGULAR USE OF COMPOUNDED ESSENTIAL OILS CONSISTING...OF...ANETHOL, IN MFR OF SWEET LIQUEURS, . ... THE EFFECTIVE YIELD OF ANETHOL, BASED ON THE FINISHED LIQUEUR "AS IS" IS APPROX 1:2000., CHIEF CONSTITUENT...ANISE, STAR ANISE & FENNEL OILS: MONAD, DE DORTAN, IND PARFUM 5: 401 (1950), NAVES, TUCAKOV, COMPT REND 248: 843 (1959)., ANISE SEED YIELDS UP TO 3% OF ESSENTIAL OIL HAVING UP TO 90% ANETHOL AS PRINCIPAL CONSTITUENT., FEMA NUMBER 2086. NON-ALCOHOLIC BEVERAGES 11 PPM, ALCOHOLIC BEVERAGES 1, 400 PPM, ICE CREAMS, ICES, ETC 26 PPM, CANDY 340 PPM, BAKED GOODS 150 PPM, & CHEWING GUM 1, 500 PPM., ...PRESENT IN...OIL OF ILLICIUM ANISATUM L...OIL FROM LEAVES OF PIPER PELIPER PELTATUM SUR...ROOTS OF OSMORRHIZA LONGISTYLIS EBERH... OILS OF COMMON FENNEL & BASIL...OILS FROM LEAVES OF CLAUSENA ANISATA HOOK, BACKHOUSIA ANISATA, & MAGNOLIA SALICIFOLIA..
Anethole is a chemical compound with CAS registry number 104-46-1 and molecular formula C10H12O (molecular weight 148.20).
CAS number: 104-46-1
Its molecular formula C10H12O comprises 10 C, 12 H, 1 O atoms.
Also known as: Anethole · 茴香脑
The CAS registry number of Anethole is 104-46-1.
Molecular formula C10H12O, molecular weight 148.20.
It is also registered under: Anethole, 茴香脑.
Recorded applications: Uses: Chief constituent of anise, star anise, and fennel oils, Used as a flavoring agent (foods, beverages, and drugs) and fragrance (soaps and dentifrices), [Merck Index] Used to make anisaldehyde, as a sensitizer in bleaching colors in photography, an embedding material in microscopy, and an insect attractant, [HSDB], Photographic Processing [Category: Other], The active ingredient is no longer contained in any registered pesticide products ... "cancelled.", MFR ANISALDEHYDE, IN PERFUMERY, SOAP & DENTIFRICES, SENSITIZER IN BLEACHING COLORS IN COLOR PHOTOGRAPHY, AS EMBEDDING MATERIAL IN MICROSCOPY, PHARMACEUTIC AID (FLAVOR), VET: HAS BEEN USED AS A CARMINATIVE & AS A FLAVORING AGENT, AS FLAVOR INGREDIENT, IN LICORICE CANDIES, For more Uses (Complete) data for ANETHOLE (6 total), please visit the HSDB record page., Use (kg, approx.) in Germany (2009): >25, Consumption (g per capita, approx.) in Germany (2009): 0.000305, Calculated removal (%): 96.6, Use Classification: Fragrance Ingredients, Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Denaturant, Industry Uses: Intermediate, Other, Intermediates, Fragrance, Consumer Uses: Fragrance, Household Products: Cosmetics product ingredient: 1-Methoxy-4-(1E)-1-propen-1-yl-benzene (trans-Anethole) (Anethole), Anethole is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223, 2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)., For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:, https:, www.cdph.ca.gov, Programs, CCDPHP, DEODC, OHB, CSCP, Pages, FragranceAllergens.aspx, Product count: 607, Information on 22 consumer products that contain Anethole in the following categories is provided:, • Auto Products, • Personal Care, Information on 45 consumer products that contain Trans-Anethole in the following categories is provided:, • Commercial, Institutional, • Inside the Home, Methods of Manufacturing: SYNTHESIS BY ESTERIFICATION OF P-CRESOL WITH METHYL ALCOHOL & SUBSEQUENT CONDENSATION WITH ACETALDEHYDE (PERKINS). ...MOST COMMON METHOD...FROM PINE OIL. BY FRACTIONAL DISTILLATION..., OF, ESSENTIAL OILS OF ANISE, STAR ANISE & FENNEL. ...ANISE...CONTAIN...85% ANETHOLE, FENNEL FROM 60 TO 70%., SEPN OF CIS & TRANS ISOMERS: NAVES ET AL, COMPT REND 246: 1734 (1958), BULL SOC CHIM FRANCE 1958, 566, HELY CHIM ACTA 43: 230 (1960), FERRONI ET AL, GAZZ CHIM ITAL 92: 1198 (1962). SYNTHESIS: MUELLER, ROSCHEISEN, BER 90: 543 (1957)., Formulations, Preparations: GRADES: USP (TECHNICAL), FCC (FOOD CHEMICALS CODEX)., U.S. Production: 2023: 2, 063, 610 lb, 2022: 1, 656, 009 lb, 2021: 2, 200, 376 lb, 2020: 1, 612, 064 lb, 2023: 250, 000 - <400, 000 lb, 2022: 400, 000 - <550, 2021: 1, 000, 000 - <2, 500, 2020: 250, (1991) 1, 641, 000 kg, General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, All Other Chemical Product and Preparation Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Benzene, 1-methoxy-4-(1-propen-1-yl)-: ACTIVE, 1-methoxy-4-(1E)-1-propen-1-yl-: ACTIVE, 1-methoxy-4-(propen-1-yl)-: INACTIVE, ...THERE IS REGULAR USE OF COMPOUNDED ESSENTIAL OILS CONSISTING...OF...ANETHOL, IN MFR OF SWEET LIQUEURS, . ... THE EFFECTIVE YIELD OF ANETHOL, BASED ON THE FINISHED LIQUEUR "AS IS" IS APPROX 1:2000., CHIEF CONSTITUENT...ANISE, STAR ANISE & FENNEL OILS: MONAD, DE DORTAN, IND PARFUM 5: 401 (1950), NAVES, TUCAKOV, COMPT REND 248: 843 (1959)., ANISE SEED YIELDS UP TO 3% OF ESSENTIAL OIL HAVING UP TO 90% ANETHOL AS PRINCIPAL CONSTITUENT., FEMA NUMBER 2086. NON-ALCOHOLIC BEVERAGES 11 PPM, ALCOHOLIC BEVERAGES 1, 400 PPM, ICE CREAMS, ICES, ETC 26 PPM, CANDY 340 PPM, BAKED GOODS 150 PPM, & CHEWING GUM 1, 500 PPM., ...PRESENT IN...OIL OF ILLICIUM ANISATUM L...OIL FROM LEAVES OF PIPER PELIPER PELTATUM SUR...ROOTS OF OSMORRHIZA LONGISTYLIS EBERH... OILS OF COMMON FENNEL & BASIL...OILS FROM LEAVES OF CLAUSENA ANISATA HOOK, BACKHOUSIA ANISATA, & MAGNOLIA SALICIFOLIA..
Independent reference data for Anethole (CAS 104-46-1), compiled from public chemistry databases.
| CAS Registry Number | 104-46-1 |
|---|---|
| PubChem CID | 637563 |
| Molecular formula | C10H12O |
| IUPAC name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| UNII (FDA) | Q3JEK5DO4K |
| FEMA number | 2086 |
| JECFA number | 217 |
| Molecular Weight | 148.20 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 148.088815002 |
| Monoisotopic Mass | 148.088815002 |
| Topological Polar Surface Area | 9.2 |
| Heavy Atom Count | 11 |
| Boiling Point | 454.1 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 234 °C |
| Boiling Point | 234-239.5 °C |
| Melting Point | 70.4 °F (NTP, 1992) |
| Melting Point | 21.3 °C |
| Flash Point | 195 °F (NTP, 1992) |
| Flash Point | 90.1 °C |
| Density | 0.9878 @ 20 °C/4 °C |
| Density | 0.983-0.988 |
| Vapor Pressure | 0.05 [mmHg] |
ANETHOLE; 104-46-1; Anise camphor; Monasirup; Anethol; 4-Propenylanisole; Anisole, p-propenyl-; trans-p-Propenylanisole; p-Anethole; 1-Methoxy-4-(1-propenyl)benzene; Aniskampfer; trans-1-p-Anisylpropene; Anethole, trans; 1-methoxy-4-[(E)-prop-1-enyl]benzene; p-1-Propenylanisole; 1-Methoxy-4-propenylbenzene
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Anise TRANS-ANETHOLE |
|---|---|
| GHS notification summary | 2.9% (55 / 1880) |
| GHS notification summary | 2.9% (55 / 1880) |
|---|---|
| Reported hazard statements | H317 (95.3%), H412 (36.4%) |
This chemical does not meet GHS hazard criteria for 2.9% (55 of 1880) of reports.
H317 (95.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Anethole · CAS 104-46-1 · C10H12O. UNII Q3JEK5DO4K. Boiling Point: 454.1 °F at 760 mmHg (NTP, 1992); Boiling Point: 234 °C; Boiling Point: 234-239.5 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 茴香脑