丁酸二甲基苄基原酯（CAS 10094-34-5）：分子式 C14H20O2、分子量 220.31。
| CAS号 | 10094-34-5 |
|---|---|
| 分子式 | C14H20O2 |
| 分子量 | 220.31 |
| 沸点 | 253.00 to 255.00 °C. @ 760.00 mm Hg |
| LogP | 3.5 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Other、Flavoring and nutrient、Fragrance、Consumer Uses: Fragrance、Other、Household Products: Information on 65 consumer products that contain Dimethyl Phenethyl Butyrate in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、U.S. Production: 2023: 8、500、000 - <10、000、000 lb、2022: 8、2021: 8、2020: 8、General Manufacturing Information: Food、beverage、and tobacco product manufacturing、Soap、Cleaning Compound、and Toilet Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Plastics Material and Resin Manufacturing、All Other Chemical Product and Preparation Manufacturing、Butanoic acid、1、1-dimethyl-2-phenylethyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Other、Flavoring and nutrient、Fragrance、Consumer Uses: Fragrance、Other、Household Products: Information on 65 consumer products that contain Dimethyl Phenethyl Butyrate in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、U.S. Production: 2023: 8、500、000 - <10、000、000 lb、2022: 8、2021: 8、2020: 8、General Manufacturing Information: Food、beverage、and tobacco product manufacturing、Soap、Cleaning Compound、and Toilet Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Plastics Material and Resin Manufacturing、All Other Chemical Product and Preparation Manufacturing、Butanoic acid、1、1-dimethyl-2-phenylethyl ester: ACTIVE。
丁酸二甲基苄基原酯 是一种化工化合物，登记 CAS 号为 10094-34-5，分子式 C14H20O2（分子量 220.31）。
登记 CAS 号：10094-34-5
其分子式 C14H20O2 由 14 个碳、20 个氢、2 个氧 组成。
别名/同义词：丁酸二甲基苄基原酯 · Benzyldimethylcarbinyl butyrate · Dimethyl benzyl carbinyl butyrate
丁酸二甲基苄基原酯 的 CAS 登记号为 10094-34-5。
分子式 C14H20O2，分子量 220.31。
别名/同义词：丁酸二甲基苄基原酯、Benzyldimethylcarbinyl butyrate、Dimethyl benzyl carbinyl butyrate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Other、Flavoring and nutrient、Fragrance、Consumer Uses: Fragrance、Other、Household Products: Information on 65 consumer products that contain Dimethyl Phenethyl Butyrate in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、U.S. Production: 2023: 8、500、000 - <10、000、000 lb、2022: 8、2021: 8、2020: 8、General Manufacturing Information: Food、beverage、and tobacco product manufacturing、Soap、Cleaning Compound、and Toilet Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Plastics Material and Resin Manufacturing、All Other Chemical Product and Preparation Manufacturing、Butanoic acid、1、1-dimethyl-2-phenylethyl ester: ACTIVE。
丁酸二甲基苄基原酯（CAS 10094-34-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 10094-34-5 |
|---|---|
| PubChem CID | 24915 |
| Molecular formula | C14H20O2 |
| Molecular weight | 220.15 g/mol |
| IUPAC name | (2-methyl-1-phenylpropan-2-yl) butanoate |
| InChIKey | SHSGYHAHMQLYRB-UHFFFAOYSA-N |
| UNII (FDA) | 3Q0C60547R |
| ChEBI ID | CHEBI:185847 |
| FEMA number | 2394 |
| JECFA number | 1656 |
| Molecular Weight | 220.31 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 220.146329876 |
| Monoisotopic Mass | 220.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 253.00 to 255.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 237-255 °C |
| Density | 0.960-0.971 |
| Refractive Index | 1.484-1.489 |
1,1-Dimethyl-2-phenylethyl butyrate; RefChem:588253; 10094-34-5; Butanoic acid, 1,1-dimethyl-2-phenylethyl ester; Dimethylbenzylcarbinyl butyrate; Benzyldimethylcarbinyl butyrate; alpha,alpha-Dimethylphenethyl butyrate; Dimethyl benzyl carbinyl butyrate; Dmbc butyrate; 2-Benzyl-2-propyl butyrate; Benzyl dimethylcarbinyl butyrate; 1,1-Dimethyl-2-phenylethyl butanoate; Benzyl dimethylcarbinyl n-butyrate; FEMA No. 2394; Benzyl dimethyl carbinyl butyrate; (2-methyl-1-phenylpropan-2-yl) butanoate
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Floral No safety concern at current levels of intake when used as a flavouring agent TRS 947-JECFA68/ |
|---|---|
| GHS notification summary | 1.8% (37 / 2051) |
| GHS notification summary | 1.8% (37 / 2051) |
|---|---|
| Reported hazard statements | H411 (87.4%) |
This chemical does not meet GHS hazard criteria for 1.8% (37 of 2051) of reports.
H411 (87.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Dimethyl benzyl carbinyl butyrate is identified by CAS 10094-34-5, molecular formula C14H20O2 and molecular weight 220.15 g/mol. UNII 3Q0C60547R; ChEBI 185847; InChIKey SHSGYHAHMQLYRB-UHFFFAOYSA-N. Boiling Point: 253.00 to 255.00 °C. @ 760.00 mm Hg; Boiling Point: 237-255 °C; Density: 0.960-0.971.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Benzyldimethylcarbinyl butyrate