Grundinformationen
- CAS
103-07-1- Standard-SMILES
CC(=O)OC(C)(C)CCc1ccccc1- InChIKey
ZXFNOEJFYLQUSB-UHFFFAOYSA-N- Summenformel
- C13H18O2
- Durchschnittliche Molmasse
- 206,28 g/mol
- Monoisotopische Masse
- 206,13067982
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-4-phenyl-2-butyl acetate
- IUPAC
- (2-methyl-4-phenylbutan-2-yl) acetate
- Lokaler Name
- 1,1-Dimethyl-3-phenylpropylacetat
- Englischer Name
- DIMETHYL PHENYL ETHYL CARBINYL ACETATE
- Summenformel
- C13H18O2
- Molmasse
- 206.28
Namen und Synonyme
2-Methyl-4-phenyl-2-butyl acetateRefChem:475593103-07-11,1-Dimethyl-3-phenylpropyl acetateDmpec acetateDimethylphenylethylcarbinyl acetateDimethyl phenethyl carbinyl acetate2-Methyl-4-phenyl-2-acetoxybutaneFEMA No. 2735Dimethylphenethylcarbinyl acetate(2-methyl-4-phenylbutan-2-yl) acetatePhenylethyl dimethyl carbinyl acetate
Weitere Namen anzeigen
FEMA 2735narcissus acetatePHENYLETHYL3,3-DIMETHYLACRYLATE2-methyl-4-phenyl-2-butylacetate2-methyl-4-phenyl-2-butanoacetate1,1-Dimethyl-3-phenylpropylacetatDimethylphenethylcarbinol acetateDIMETHYLPHENYLETHYL-CARBINYLACETAT1,1-dimethyl-3-phenylpropylacetate2,2-Dimethyl-3-phenylpropyl acetate
2-methyl-4-phenylbutan-2-yl acetate2-Methyl-4-phenyl-2-butanyl acetatealpha,alpha-Dimethylbenzenepropyl acetate2-Butanol, 2-methyl-4-phenyl-, acetatealpha,alpha-Dimethylbenzenepropanol acetate3-Acetoxy-3-methyl-1-phenylbutaneBenzenepropanol, alpha,alpha-dimethyl-, acetateBenzenepropanol, alpha,alpha-dimethyl-, 1-acetate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 203
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (2-Methyl-4-phenyl-2-butyl acetate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.986-0.990 (15 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in oils; Insoluble in water
Soluble (in ethanol)
Boiling Point
243.00 to 244.00 °C. @ 760.00 mm Hg
244 °C
Refractive Index1.488-1.490
Physical DescriptionColourless liquid; Jasmine and hyacinth-like aroma with a slight rosey undertone
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 86.1% (235 of 273) of all reports.
Warning
H317 (13.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 273 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenepropanol, .alpha.,.alpha.-dimethyl-, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenepropanol, .alpha.,.alpha.-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenepropanol, .alpha.,.alpha.-dimethyl-, acetate: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (13.9%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzenepropanol, .alpha.,.alpha.-dimethyl-, 1-acetate: ACTIVE
Anwendungen
Beschreibung2-Methyl-4-phenyl-2-butyl acetate has a jasmine and hyacinth-like odor with a slightly rose undertone.
Anbieter11 Anbieter
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences[email protected]
Shaanxi Didu New Materials Co. Ltd
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