Benzyldimethylcarbinyl butyrate (CAS 10094-34-5) — formula C14H20O2, molecular weight 220.31; category organic chemicals.
| CAS Number | 10094-34-5 |
|---|---|
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.31 |
| Boiling Point | 253.00 to 255.00 °C. @ 760.00 mm Hg |
| LogP | 3.5 |
| Applications | 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 |
| Category | Organic Chemicals |
Documented applications: 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.
Benzyldimethylcarbinyl butyrate is a carbon-based organic compound with CAS registry number 10094-34-5 and molecular formula C14H20O2 (molecular weight 220.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 10094-34-5
Its molecular formula C14H20O2 comprises 14 C, 20 H, 2 O atoms.
Also known as: Benzyldimethylcarbinyl butyrate · 丁酸二甲基苄基原酯 · Dimethyl benzyl carbinyl butyrate
Category: organic chemicals
The CAS registry number of Benzyldimethylcarbinyl butyrate is 10094-34-5.
Molecular formula C14H20O2, molecular weight 220.31.
It is also registered under: Benzyldimethylcarbinyl butyrate, 丁酸二甲基苄基原酯, Dimethyl benzyl carbinyl butyrate.
Recorded applications: 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.
Category: Organic Chemicals.
Independent reference data for Benzyldimethylcarbinyl butyrate (CAS 10094-34-5), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苄基二甲基丁酸