3-Propylidenephthalide (CAS 17369-59-4) — formula C11H10O2, molecular weight 174.07 g/mol.
Documented applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Household Products: Cosmetics product ingredient: 3-Propylidene-1(3H)-isobenzofuranone (3-Propylidenephthalide), 3-Propylidenephthalide 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: 80, IFRA Fragrance Standards: 3-Propylidenephthalide, 3-Propylidenephthalide, 1(3H)-Isobenzofuranone, 3-propylidene-, 3-Propylidene-2-benzofuran-1(3H)-one, Propylidene phthalide, IFRA_STD_076.pdf, 51, 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, 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 (%): 0.072 [Products applied to the lips], 0.022 [Products applied to the axillae], 0.43 [Products applied to the face, body using fingertips], 40 [Products related to fine fragrances], 10 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 10 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 10 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 10 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.24 [Products with oral and lip exposure], 0.82 [Rinse-off products applied to the hair with some hand contact], 0.82 [Leave-on products applied to the hair with some hand contact], 0.042 [Products with significant anogenital exposure (tampon)], 0.79 [Products with body and hand exposure, primarily rinse off], 2.8 [Household care products with mostly hand contact (excluding aerosol, spray products)], 2.8 [Household care products with mostly hand contact (household aerosol, 1.6 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 1.6 [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], General Manufacturing Information: 1(3H)-Isobenzofuranone, 3-propylidene-: ACTIVE.
3-Propylidenephthalide is a chemical compound with CAS registry number 17369-59-4 and molecular formula C11H10O2 (molecular weight 174.07 g/mol).
CAS number: 17369-59-4
Its molecular formula C11H10O2 comprises 11 C, 10 H, 2 O atoms.
Also known as: 3-Propylidenephthalide · 3-n-Propylidenephthalide
The CAS registry number of 3-Propylidenephthalide is 17369-59-4.
Molecular formula C11H10O2, molecular weight 174.07 g/mol.
It is also registered under: 3-Propylidenephthalide, 3-n-Propylidenephthalide.
Recorded applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Household Products: Cosmetics product ingredient: 3-Propylidene-1(3H)-isobenzofuranone (3-Propylidenephthalide), 3-Propylidenephthalide 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: 80, IFRA Fragrance Standards: 3-Propylidenephthalide, 3-Propylidenephthalide, 1(3H)-Isobenzofuranone, 3-propylidene-, 3-Propylidene-2-benzofuran-1(3H)-one, Propylidene phthalide, IFRA_STD_076.pdf, 51, 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, 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 (%): 0.072 [Products applied to the lips], 0.022 [Products applied to the axillae], 0.43 [Products applied to the face, body using fingertips], 40 [Products related to fine fragrances], 10 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 10 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 10 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 10 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.24 [Products with oral and lip exposure], 0.82 [Rinse-off products applied to the hair with some hand contact], 0.82 [Leave-on products applied to the hair with some hand contact], 0.042 [Products with significant anogenital exposure (tampon)], 0.79 [Products with body and hand exposure, primarily rinse off], 2.8 [Household care products with mostly hand contact (excluding aerosol, spray products)], 2.8 [Household care products with mostly hand contact (household aerosol, 1.6 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 1.6 [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], General Manufacturing Information: 1(3H)-Isobenzofuranone, 3-propylidene-: ACTIVE.
Public-database records for 3-Propylidenephthalide (CAS 17369-59-4), reproduced here for independent cross-checking.
| 已通报的危害声明 | H302 (100%), H317 (99.7%) |
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| 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 Green No safety concern at current levels of intake when used as a flavouring agent |
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| 沸点 | 343 to 347 °F at 15 mmHg (NTP, 1992) |
|---|---|
| 沸点 | 169-171 °C (13 mm Hg) |
| 密度 | 1.127-1.132 |
| 折射率 | 1.557-1.562 |
| CAS 号 | 17369-59-4 |
|---|---|
| PubChem CID | 28500 |
| 分子式 | C11H10O2 |
| 分子量 | 174.07 g/mol |
| IUPAC 名称 | 3-propylidene-2-benzofuran-1-one |
| InChIKey | NGSZDVVHIGAMOJ-UHFFFAOYSA-N |
| UNII（FDA） | WHD8YJ226P |
| FEMA 编号 | 2952 |
| JECFA 编号 | 1168 |
3-PROPYLIDENEPHTHALIDE; 17369-59-4; Propylidene phthalide; DTXSID7025972; Propylidenephthalide; FEMA No. 2952; WHD8YJ226P; DTXCID70810032; RefChem:930068; 241-402-8; 1(3H)-Isobenzofuranone, 3-propylidene-; Phthalide, 3-propylidene-; MFCD00051813; 3-propylidene-1,3-dihydro-2-benzofuran-1-one; 3-propylideneisobenzofuran-1-one; Butylphthalide Impurity 23
| 分子量 | 174.20 |
|---|---|
| XLogP3 | 2.6 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 1 |
| 精确质量 | 174.068079557 |
| 单同位素质量 | 174.068079557 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 13 |
| 形式电荷 | 0 |
3-正-丙基茚苯酞 的 CAS 号为 17369-59-4，分子式 C11H10O2，分子量 174.07 g/mol。 UNII WHD8YJ226P; InChIKey NGSZDVVHIGAMOJ-UHFFFAOYSA-N. 沸点: 343 to 347 °F at 15 mmHg (NTP, 1992); 沸点: 169-171 °C (13 mm Hg); 密度: 1.127-1.132.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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