3-(m-tert-butylphenyl)-2-methylpropionaldehyde (CAS 62518-65-4) — formula C14H20O, molecular weight 204.31; category organic chemicals.
| CAS Number | 62518-65-4 |
|---|---|
| Molecular Formula | C14H20O |
| Molecular Weight | 204.31 |
| LogP | 3.9 |
| Applications | Uses: Used as an intermediate, [ECHA REACH Registrations], IFRA Fragrance Standards: 3-(m-tert-Butylphenyl)-2-methylpropionaldehyde (m-BMHCA), Benzenepropanal, 3-(1, 1-dimethylethyl)-α-methyl-, 3-(3-tert-Butylphenyl)-2-methylpropanal, m-BMHCA, IFRA_STD_013.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 (%): 0.0086 [Products applied to the lips], 0.094 [Products applied to the axillae], 0.21 [Products applied to the face, body using fingertips], 1.8 [Products related to fine fragrances], 0.45 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.28 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.42 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.094 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.0086 [Products with oral and lip exposure], 0.37 [Rinse-off products applied to the hair with some hand contact], 0.37 [Leave-on products applied to the hair with some hand contact], 0.094 [Products with significant anogenital exposure (tampon)], 0.96 [Products with body and hand exposure, primarily rinse off], 0.96 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.1 [Household care products with mostly hand contact (household aerosol, 0.094 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.094 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], 64 [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], General Manufacturing Information: Benzenepropanal, 1-dimethylethyl)-.alpha.-methyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: Used as an intermediate, [ECHA REACH Registrations], IFRA Fragrance Standards: 3-(m-tert-Butylphenyl)-2-methylpropionaldehyde (m-BMHCA), Benzenepropanal, 3-(1, 1-dimethylethyl)-α-methyl-, 3-(3-tert-Butylphenyl)-2-methylpropanal, m-BMHCA, IFRA_STD_013.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 (%): 0.0086 [Products applied to the lips], 0.094 [Products applied to the axillae], 0.21 [Products applied to the face, body using fingertips], 1.8 [Products related to fine fragrances], 0.45 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.28 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.42 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.094 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.0086 [Products with oral and lip exposure], 0.37 [Rinse-off products applied to the hair with some hand contact], 0.37 [Leave-on products applied to the hair with some hand contact], 0.094 [Products with significant anogenital exposure (tampon)], 0.96 [Products with body and hand exposure, primarily rinse off], 0.96 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.1 [Household care products with mostly hand contact (household aerosol, 0.094 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.094 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], 64 [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], General Manufacturing Information: Benzenepropanal, 1-dimethylethyl)-.alpha.-methyl-: ACTIVE.
3-(m-tert-butylphenyl)-2-methylpropionaldehyde is a carbon-based organic compound with CAS registry number 62518-65-4 and molecular formula C14H20O (molecular weight 204.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62518-65-4
Its molecular formula C14H20O comprises 14 C, 20 H, 1 O atoms.
Also known as: 3-(m-tert-butylphenyl)-2-methylpropionaldehyde · 3-(1,1-二甲基乙基)-Α-甲基苯丙醛
Category: organic chemicals
The CAS registry number of 3-(m-tert-butylphenyl)-2-methylpropionaldehyde is 62518-65-4.
Molecular formula C14H20O, molecular weight 204.31.
It is also registered under: 3-(m-tert-butylphenyl)-2-methylpropionaldehyde, 3-(1,1-二甲基乙基)-Α-甲基苯丙醛.
Recorded applications: Uses: Used as an intermediate, [ECHA REACH Registrations], IFRA Fragrance Standards: 3-(m-tert-Butylphenyl)-2-methylpropionaldehyde (m-BMHCA), Benzenepropanal, 3-(1, 1-dimethylethyl)-α-methyl-, 3-(3-tert-Butylphenyl)-2-methylpropanal, m-BMHCA, IFRA_STD_013.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 (%): 0.0086 [Products applied to the lips], 0.094 [Products applied to the axillae], 0.21 [Products applied to the face, body using fingertips], 1.8 [Products related to fine fragrances], 0.45 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)], 0.28 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)], 0.42 [Products applied to the hands using the hands (palms), primarily leave-on (Hand cream)], 0.094 [Products applied to babies using the hands (palms), primarily leave-on (Baby cream, oil, talc)], 0.0086 [Products with oral and lip exposure], 0.37 [Rinse-off products applied to the hair with some hand contact], 0.37 [Leave-on products applied to the hair with some hand contact], 0.094 [Products with significant anogenital exposure (tampon)], 0.96 [Products with body and hand exposure, primarily rinse off], 0.96 [Household care products with mostly hand contact (excluding aerosol, spray products)], 3.1 [Household care products with mostly hand contact (household aerosol, 0.094 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure], 0.094 [Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure], 64 [Other air care products not intended for direct skin contact, minimal or insignificant transfer to skin], General Manufacturing Information: Benzenepropanal, 1-dimethylethyl)-.alpha.-methyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 3-(m-tert-butylphenyl)-2-methylpropionaldehyde (CAS 62518-65-4), compiled from public chemistry databases.
| CAS 号 | 62518-65-4 |
|---|---|
| PubChem CID | 112494 |
| 分子式 | C14H20O |
| IUPAC 名称 | 3-(3-tert-butylphenyl)-2-methylpropanal |
| UNII（FDA） | UGB2D7505H |
| Molecular Weight | 204.31 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 204.151415257 |
| Monoisotopic Mass | 204.151415257 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 15 |
3-(3-tert-Butylphenyl)-2-methylpropanal; 62518-65-4; 3-(m-tert-Butylphenyl)-2-methylpropionaldehyde; UGB2D7505H; Benzenepropanal, 3-(1,1-dimethylethyl)-.alpha.-methyl-; EINECS 263-580-6; Benzenepropanal, 3-(1,1-dimethylethyl)-alpha-methyl-; DTXSID8052304; EC 263-580-6; 3-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYLBENZENEPROPANAL; RefChem:492216; DTXCID5030876; 3(3tertButylphenyl)2methylpropanal; Benzenepropanal, 3(1,1dimethylethyl)alphamethyl; 3-(1,1-DIMETHYLETHYL)-ALPHA-METHYLBENZENEPROPANAL; 263-580-6
| 已通报的危害声明 | H302 (36%), H317 (36%), H360 (13.3%), H413 (13.3%) |
|---|
3-(1,1-二甲基乙基)-Α-甲基苯丙醛 · CAS 62518-65-4 · C14H20O. UNII UGB2D7505H.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(1,1-二甲基乙基)-Α-甲基苯丙醛