异丁子香酚（CAS 97-54-1）：分子式 C10H12O2、分子量 164.20。
| CAS号 | 97-54-1 |
|---|---|
| 分子式 | C10H12O2 |
| 分子量 | 164.20 |
| 熔点 | 14 °F (NTP, 1992) |
| 沸点 | 511 °F at 760 mmHg (NTP, 1992) |
| LogP | 2.6 |
| 应用领域 | Uses: Occurs in ylang-ylang oil and other essential oils、[CAMEO] Used in perfumes、vanillin、and flavoring agents、[Hawley] Approved by the FDA as a food flavor、Used in cosmetics、medications、and dental materials、Occurs naturally in the oils of clove、ylang-ylang、tuberose、and jonquil、[Marks、p. 175]、Manufacture of vanillin.、Used as a fragrance in household laundry and cleaning products including、most notably、laundry powders (maximum concentration: 60 ppm)、laundry liquids (maximum concentration: 70 ppm)、dish-washing liquids (maximum concentration: less than 10 ppm)、hard surface cleaning products (maximum concentration: 40 ppm) and toilet cleaning products (maximum concentration: less than 10 ppm)、Reported Uses:、Table: Reported uses (ppm): (FEMA、1994) [Table#8035]、Isoeugenol is used in perfumery in a large number of blossom compositions、mostly for clove and carnation types、but also in oriental perfumes. ... Small amounts are employed in aromas and in reconstituted essential oils.、AQUI-S is a fish anesthetic、sedative that is approved for use in a number of countries throughout the world and has the potential for use in the United States. The active ingredient in AQUI-S is isoeugenol.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Masking、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Cosmetics product ingredient: Isoeugenol (Phenol、2-methoxy-4-(1-propenyl)、(E)-2-methoxy-4-(prop-1-enyl)phenol、(trans-Isoeugenol)、(Z)-2-methoxy-4-(prop-1-enyl)phenol、(cis-Isoeugenol))、Isoeugenol 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: 5132、Information on 89 consumer products that contain Isoeugenol in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、Methods of Manufacturing: From eugenol by isomerization with caustic potash.、The sodium or potassium salt of eugenol is isomerized to isoeugenol by heating. Isomerization can also be carried out catalytically in the presence of ruthenium or rhodium compounds.、Guaiacol is esterified with propionic acid、and the resulting guaiacyl propionate rearranges in the presence of aluminum chloride to give 4-hydroxy-3-methoxypropiophenone. Reduction of the ketone to the corresponding secondary alcohol and dehydration finally yield isoeugenol.、IFRA Fragrance Standards: Isoeugenol、1-Hydroxy-2-methoxy-4-propen-1-ylbenzene、4-Hydroxy-3-methoxy-1-propen-1-ylbenzene、4-Hydroxy-3-methoxy-1-propenylbenzene、iso-Eugenol、3-Methoxy-4-hydroxy-1-propen-1-ylbenzene、2-Methoxy-4-propenylphenol、2-Methoxy-4-(1-propenyl)phenol、Phenol、2-methoxy-4-(1-propenyl)-、4-Propenylguaiacol、IFRA_STD_048.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 (%): 0.019 [Products applied to the lips]、0.0057 [Products applied to the axillae]、0.12 [Products applied to the face、body using fingertips]、0.11 [Products related to fine fragrances]、0.027 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.027 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.027 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.009 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.063 [Products with oral and lip exposure]、0.22 [Rinse-off products applied to the hair with some hand contact]、0.22 [Leave-on products applied to the hair with some hand contact]、0.009 [Products with significant anogenital exposure (tampon)]、0.21 [Products with body and hand exposure、primarily rinse off]、0.21 [Household care products with mostly hand contact (excluding aerosol、spray products)]、0.75 [Household care products with mostly hand contact (household aerosol、0.009 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.009 [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]、Formulations、Preparations: Perfumer's grade、FCC.、U.S. Production: 2023: 8、258、684 lb、2022: 8、582、404 lb、2021: 8、769、261 lb、2020: |
登记用途：Uses: Occurs in ylang-ylang oil and other essential oils、[CAMEO] Used in perfumes、vanillin、and flavoring agents、[Hawley] Approved by the FDA as a food flavor、Used in cosmetics、medications、and dental materials、Occurs naturally in the oils of clove、ylang-ylang、tuberose、and jonquil、[Marks、p. 175]、Manufacture of vanillin.、Used as a fragrance in household laundry and cleaning products including、most notably、laundry powders (maximum concentration: 60 ppm)、laundry liquids (maximum concentration: 70 ppm)、dish-washing liquids (maximum concentration: less than 10 ppm)、hard surface cleaning products (maximum concentration: 40 ppm) and toilet cleaning products (maximum concentration: less than 10 ppm)、Reported Uses:、Table: Reported uses (ppm): (FEMA、1994) [Table#8035]、Isoeugenol is used in perfumery in a large number of blossom compositions、mostly for clove and carnation types、but also in oriental perfumes. ... Small amounts are employed in aromas and in reconstituted essential oils.、AQUI-S is a fish anesthetic、sedative that is approved for use in a number of countries throughout the world and has the potential for use in the United States. The active ingredient in AQUI-S is isoeugenol.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Masking、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Cosmetics product ingredient: Isoeugenol (Phenol、2-methoxy-4-(1-propenyl)、(E)-2-methoxy-4-(prop-1-enyl)phenol、(trans-Isoeugenol)、(Z)-2-methoxy-4-(prop-1-enyl)phenol、(cis-Isoeugenol))、Isoeugenol 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: 5132、Information on 89 consumer products that contain Isoeugenol in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、Methods of Manufacturing: From eugenol by isomerization with caustic potash.、The sodium or potassium salt of eugenol is isomerized to isoeugenol by heating. Isomerization can also be carried out catalytically in the presence of ruthenium or rhodium compounds.、Guaiacol is esterified with propionic acid、and the resulting guaiacyl propionate rearranges in the presence of aluminum chloride to give 4-hydroxy-3-methoxypropiophenone. Reduction of the ketone to the corresponding secondary alcohol and dehydration finally yield isoeugenol.、IFRA Fragrance Standards: Isoeugenol、1-Hydroxy-2-methoxy-4-propen-1-ylbenzene、4-Hydroxy-3-methoxy-1-propen-1-ylbenzene、4-Hydroxy-3-methoxy-1-propenylbenzene、iso-Eugenol、3-Methoxy-4-hydroxy-1-propen-1-ylbenzene、2-Methoxy-4-propenylphenol、2-Methoxy-4-(1-propenyl)phenol、Phenol、2-methoxy-4-(1-propenyl)-、4-Propenylguaiacol、IFRA_STD_048.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 (%): 0.019 [Products applied to the lips]、0.0057 [Products applied to the axillae]、0.12 [Products applied to the face、body using fingertips]、0.11 [Products related to fine fragrances]、0.027 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.027 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.027 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.009 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.063 [Products with oral and lip exposure]、0.22 [Rinse-off products applied to the hair with some hand contact]、0.22 [Leave-on products applied to the hair with some hand contact]、0.009 [Products with significant anogenital exposure (tampon)]、0.21 [Products with body and hand exposure、primarily rinse off]、0.21 [Household care products with mostly hand contact (excluding aerosol、spray products)]、0.75 [Household care products with mostly hand contact (household aerosol、0.009 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.009 [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]、Formulations、Preparations: Perfumer's grade、FCC.、U.S. Production: 2023: 8、258、684 lb、2022: 8、582、404 lb、2021: 8、769、261 lb、2020:。
异丁子香酚 是一种化工化合物，登记 CAS 号为 97-54-1，分子式 C10H12O2（分子量 164.20）。
登记 CAS 号：97-54-1
其分子式 C10H12O2 由 10 个碳、12 个氢、2 个氧 组成。
别名/同义词：异丁子香酚 · Isoeugenol
异丁子香酚 的 CAS 登记号为 97-54-1。
分子式 C10H12O2，分子量 164.20。
别名/同义词：异丁子香酚、Isoeugenol。
登记用途：Uses: Occurs in ylang-ylang oil and other essential oils、[CAMEO] Used in perfumes、vanillin、and flavoring agents、[Hawley] Approved by the FDA as a food flavor、Used in cosmetics、medications、and dental materials、Occurs naturally in the oils of clove、ylang-ylang、tuberose、and jonquil、[Marks、p. 175]、Manufacture of vanillin.、Used as a fragrance in household laundry and cleaning products including、most notably、laundry powders (maximum concentration: 60 ppm)、laundry liquids (maximum concentration: 70 ppm)、dish-washing liquids (maximum concentration: less than 10 ppm)、hard surface cleaning products (maximum concentration: 40 ppm) and toilet cleaning products (maximum concentration: less than 10 ppm)、Reported Uses:、Table: Reported uses (ppm): (FEMA、1994) [Table#8035]、Isoeugenol is used in perfumery in a large number of blossom compositions、mostly for clove and carnation types、but also in oriental perfumes. ... Small amounts are employed in aromas and in reconstituted essential oils.、AQUI-S is a fish anesthetic、sedative that is approved for use in a number of countries throughout the world and has the potential for use in the United States. The active ingredient in AQUI-S is isoeugenol.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Masking、Industry Uses: Fragrance、Consumer Uses: Fragrance、Household Products: Cosmetics product ingredient: Isoeugenol (Phenol、2-methoxy-4-(1-propenyl)、(E)-2-methoxy-4-(prop-1-enyl)phenol、(trans-Isoeugenol)、(Z)-2-methoxy-4-(prop-1-enyl)phenol、(cis-Isoeugenol))、Isoeugenol 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: 5132、Information on 89 consumer products that contain Isoeugenol in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、Methods of Manufacturing: From eugenol by isomerization with caustic potash.、The sodium or potassium salt of eugenol is isomerized to isoeugenol by heating. Isomerization can also be carried out catalytically in the presence of ruthenium or rhodium compounds.、Guaiacol is esterified with propionic acid、and the resulting guaiacyl propionate rearranges in the presence of aluminum chloride to give 4-hydroxy-3-methoxypropiophenone. Reduction of the ketone to the corresponding secondary alcohol and dehydration finally yield isoeugenol.、IFRA Fragrance Standards: Isoeugenol、1-Hydroxy-2-methoxy-4-propen-1-ylbenzene、4-Hydroxy-3-methoxy-1-propen-1-ylbenzene、4-Hydroxy-3-methoxy-1-propenylbenzene、iso-Eugenol、3-Methoxy-4-hydroxy-1-propen-1-ylbenzene、2-Methoxy-4-propenylphenol、2-Methoxy-4-(1-propenyl)phenol、Phenol、2-methoxy-4-(1-propenyl)-、4-Propenylguaiacol、IFRA_STD_048.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 (%): 0.019 [Products applied to the lips]、0.0057 [Products applied to the axillae]、0.12 [Products applied to the face、body using fingertips]、0.11 [Products related to fine fragrances]、0.027 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.027 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.027 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.009 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.063 [Products with oral and lip exposure]、0.22 [Rinse-off products applied to the hair with some hand contact]、0.22 [Leave-on products applied to the hair with some hand contact]、0.009 [Products with significant anogenital exposure (tampon)]、0.21 [Products with body and hand exposure、primarily rinse off]、0.21 [Household care products with mostly hand contact (excluding aerosol、spray products)]、0.75 [Household care products with mostly hand contact (household aerosol、0.009 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、0.009 [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]、Formulations、Preparations: Perfumer's grade、FCC.、U.S. Production: 2023: 8、258、684 lb、2022: 8、582、404 lb、2021: 8、769、261 lb、2020:。
异丁子香酚（CAS 97-54-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 97-54-1 |
|---|---|
| PubChem CID | 853433 |
| Molecular formula | C10H12O2 |
| IUPAC name | 2-methoxy-4-[(E)-prop-1-enyl]phenol |
| UNII (FDA) | 28FSR1NAY4 |
| FEMA number | 2468 |
| JECFA number | 1260 |
| Molecular Weight | 164.20 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 164.083729621 |
| Monoisotopic Mass | 164.083729621 |
| Topological Polar Surface Area | 29.5 |
| Heavy Atom Count | 12 |
| Boiling Point | 511 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 266 °C |
| Boiling Point | 125.00 to 126.00 °C. @ 14.00 mm Hg |
| Melting Point | 14 °F (NTP, 1992) |
| Melting Point | -10 °C |
| Flash Point | 235 °F (NTP, 1992) |
| Flash Point | 235 °F |
| Flash Point | >212 °F(>100 °C)(closed cup) |
| Solubility | In water, 810 mg/L at 25 °C |
| Density | 1.080 g/cu cm at 25 °C |
Isoeugenol; 97-54-1; 4-Propenylguaiacol; 2-Methoxy-4-propenylphenol; 2-methoxy-4-(prop-1-en-1-yl)phenol; 4-Hydroxy-3-methoxy-1-propenylbenzene; 2-METHOXY-4-(1-PROPENYL)PHENOL; 4-Hydroxy-3-methoxypropenylbenzene; Phenol, 2-methoxy-4-propenyl-; Phenol, 2-methoxy-4-(1-propenyl)-; 2-methoxy-4-[(E)-prop-1-enyl]phenol; 1-Hydroxy-2-methoxy-4-propen-1-ylbenzene; 3-Methoxy-4-hydroxypropenylbenzene; NCI-C60979; 3-Methoxy-4-hydroxy-1-propen-1-ylbenzene; FEMA No. 2468
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Flower, Fragrant No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1995) |
| GHS notification summary | 0.1% (1 / 1995) |
|---|---|
| Reported hazard statements | H317, H302 (99.5%), H312 (96.4%), H315 (99.5%), H319 (98.9%), H335 (10.9%), H332 (37.7%), H371 |
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Isoeugenol · CAS 97-54-1 · C10H12O2. UNII 28FSR1NAY4. Boiling Point: 511 °F at 760 mmHg (NTP, 1992); Boiling Point: 266 °C; Boiling Point: 125.00 to 126.00 °C. @ 14.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Isoeugenol