α-戊基肉桂醛二甲缩醛（CAS 91-87-2）：分子式 C16H24O2、分子量 248.36。
| CAS号 | 91-87-2 |
|---|---|
| 分子式 | C16H24O2 |
| 分子量 | 248.36 |
| 沸点 | 300 °C |
| LogP | 4.9 |
| 应用领域 | Use Classification: Flavoring Agents -> JECFA Flavorings Index、IFRA Fragrance Standards: alpha-Amylcinnamicaldehyde dimethyl acetal、alpha-Amylcinnamicaldehyde dimethyl acetal、α-Amylcinnamicaldehyde dimethyl acetal、alpha-Amylcinnamaldehyde dimethyl acetal、α-Amylcinnamaldehyde dimethyl acetal、[2-(Dimethoxymethyl)hept-1-en-1-yl]benzene、1、1-Dimethoxy-2-amyl-3-phenyl-2-propene、1-Dimethoxy-2-benzylideneheptane、alpha-Amyl-beta-phenylacrolein dimethyl acetal、α-Amyl-β-phenylacrolein dimethyl acetal、alpha-Pentylcinnamaldehyde dimethyl acetal、α-Pentylcinnamaldehyde dimethyl acetal、Benzene、[2-(dimethoxymethyl)-1-heptenyl]-、[2-(Dimethoxymethyl)-1-heptenyl]benzene、IFRA_STD_240.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 (%): 0.063 [Products applied to the lips]、0.019 [Products applied to the axillae]、0.38 [Products applied to the face、body using fingertips]、0.35 [Products related to fine fragrances]、0.089 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.089 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.089 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.089 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.21 [Products with oral and lip exposure]、0.72 [Rinse-off products applied to the hair with some hand contact]、0.72 [Leave-on products applied to the hair with some hand contact]、0.037 [Products with significant anogenital exposure (tampon)]、0.69 [Products with body and hand exposure、primarily rinse off]、2.5 [Household care products with mostly hand contact (excluding aerosol、spray products)]、2.5 [Household care products with mostly hand contact (household aerosol、1.4 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、1.4 [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] |
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index、IFRA Fragrance Standards: alpha-Amylcinnamicaldehyde dimethyl acetal、alpha-Amylcinnamicaldehyde dimethyl acetal、α-Amylcinnamicaldehyde dimethyl acetal、alpha-Amylcinnamaldehyde dimethyl acetal、α-Amylcinnamaldehyde dimethyl acetal、[2-(Dimethoxymethyl)hept-1-en-1-yl]benzene、1、1-Dimethoxy-2-amyl-3-phenyl-2-propene、1-Dimethoxy-2-benzylideneheptane、alpha-Amyl-beta-phenylacrolein dimethyl acetal、α-Amyl-β-phenylacrolein dimethyl acetal、alpha-Pentylcinnamaldehyde dimethyl acetal、α-Pentylcinnamaldehyde dimethyl acetal、Benzene、[2-(dimethoxymethyl)-1-heptenyl]-、[2-(Dimethoxymethyl)-1-heptenyl]benzene、IFRA_STD_240.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 (%): 0.063 [Products applied to the lips]、0.019 [Products applied to the axillae]、0.38 [Products applied to the face、body using fingertips]、0.35 [Products related to fine fragrances]、0.089 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.089 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.089 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.089 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.21 [Products with oral and lip exposure]、0.72 [Rinse-off products applied to the hair with some hand contact]、0.72 [Leave-on products applied to the hair with some hand contact]、0.037 [Products with significant anogenital exposure (tampon)]、0.69 [Products with body and hand exposure、primarily rinse off]、2.5 [Household care products with mostly hand contact (excluding aerosol、spray products)]、2.5 [Household care products with mostly hand contact (household aerosol、1.4 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、1.4 [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]。
α-戊基肉桂醛二甲缩醛 是一种化工化合物，登记 CAS 号为 91-87-2，分子式 C16H24O2（分子量 248.36）。
登记 CAS 号：91-87-2
其分子式 C16H24O2 由 16 个碳、24 个氢、2 个氧 组成。
别名/同义词：α-戊基肉桂醛二甲缩醛 · α-Amylcinnamaldehyde dimethyl acetal
α-戊基肉桂醛二甲缩醛 的 CAS 登记号为 91-87-2。
分子式 C16H24O2，分子量 248.36。
别名/同义词：α-戊基肉桂醛二甲缩醛、α-Amylcinnamaldehyde dimethyl acetal。
登记用途：Use Classification: Flavoring Agents -> JECFA Flavorings Index、IFRA Fragrance Standards: alpha-Amylcinnamicaldehyde dimethyl acetal、alpha-Amylcinnamicaldehyde dimethyl acetal、α-Amylcinnamicaldehyde dimethyl acetal、alpha-Amylcinnamaldehyde dimethyl acetal、α-Amylcinnamaldehyde dimethyl acetal、[2-(Dimethoxymethyl)hept-1-en-1-yl]benzene、1、1-Dimethoxy-2-amyl-3-phenyl-2-propene、1-Dimethoxy-2-benzylideneheptane、alpha-Amyl-beta-phenylacrolein dimethyl acetal、α-Amyl-β-phenylacrolein dimethyl acetal、alpha-Pentylcinnamaldehyde dimethyl acetal、α-Pentylcinnamaldehyde dimethyl acetal、Benzene、[2-(dimethoxymethyl)-1-heptenyl]-、[2-(Dimethoxymethyl)-1-heptenyl]benzene、IFRA_STD_240.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 (%): 0.063 [Products applied to the lips]、0.019 [Products applied to the axillae]、0.38 [Products applied to the face、body using fingertips]、0.35 [Products related to fine fragrances]、0.089 [Products applied to the body using the hands (palms)、primarily leave-on (Body lotion)]、0.089 [Products applied to the face using the hands (palms)、primarily leave-on (Face moisturizer)]、0.089 [Products applied to the hands using the hands (palms)、primarily leave-on (Hand cream)]、0.089 [Products applied to babies using the hands (palms)、primarily leave-on (Baby cream、oil、talc)]、0.21 [Products with oral and lip exposure]、0.72 [Rinse-off products applied to the hair with some hand contact]、0.72 [Leave-on products applied to the hair with some hand contact]、0.037 [Products with significant anogenital exposure (tampon)]、0.69 [Products with body and hand exposure、primarily rinse off]、2.5 [Household care products with mostly hand contact (excluding aerosol、spray products)]、2.5 [Household care products with mostly hand contact (household aerosol、1.4 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure]、1.4 [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]。
α-戊基肉桂醛二甲缩醛（CAS 91-87-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 91-87-2 |
|---|---|
| PubChem CID | 62337 |
| Molecular formula | C16H24O2 |
| Molecular weight | 248.18 g/mol |
| IUPAC name | 2-(dimethoxymethyl)hept-1-enylbenzene |
| InChIKey | QCHZKUPVENJLAW-UHFFFAOYSA-N |
| UNII (FDA) | NS00011961 |
| ChEBI ID | CHEBI:171701 |
| JECFA number | 681 |
| Molecular Weight | 248.36 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 248.177630004 |
| Monoisotopic Mass | 248.177630004 |
| Topological Polar Surface Area | 18.5 |
| Heavy Atom Count | 18 |
| Boiling Point | 300 °C |
|---|---|
| Density | 0.954-0.963 |
| Refractive Index | 1.504-1.511 |
2-(dimethoxymethyl)hept-1-enylbenzene; 91-87-2; [2-(Dimethoxymethyl)-1-heptenyl]benzene; (2-(Dimethoxymethyl)hept-1-en-1-yl)benzene; [2-(dimethoxymethyl)hept-1-en-1-yl]benzene; alpha-amyl cinnamaldehyde dimethyl acetal; SCHEMBL874602; orb2645960; DTXSID1052612; CHEBI:171701; QCHZKUPVENJLAW-UHFFFAOYSA-N; AAA09187; ?-Amylcinnamaldehyde dimethyl acetal; NS00011961; alpha-Amylcinnamaldehyde Dimethyl Acetal; a-Amylcinnamaldehyde dimethyl acetal
| Regulatory & Food Contact | Flavoring Agents |
|---|---|
| GHS notification summary | 85.8% (235 / 274) |
| GHS notification summary | 85.8% (235 / 274) |
|---|---|
| Reported hazard statements | H315 (14.2%), H319 (14.2%), H335 (14.2%) |
This chemical does not meet GHS hazard criteria for 85.8% (235 of 274) of all reports.
H315 (14.2%): Causes skin irritation [Warning Skin corrosion/irritation]
α-Amylcinnamaldehyde dimethyl acetal is identified by CAS 91-87-2, molecular formula C16H24O2 and molecular weight 248.18 g/mol. UNII NS00011961; ChEBI 171701; InChIKey QCHZKUPVENJLAW-UHFFFAOYSA-N. Boiling Point: 300 °C; Density: 0.954-0.963; Refractive Index: 1.504-1.511.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: α-Amylcinnamaldehyde dimethyl acetal