Dimethylbenzylcarbinyl butyrate
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Dimethylbenzylcarbinyl butyrate
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CAS No:
10094-34-5
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Formula:
C14H20O2
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Chemical Name:
Dimethylbenzylcarbinyl butyrate
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Synonyms:
Butanoic acid,1,1-dimethyl-2-phenylethyl ester;Butyric acid,α,α-dimethylphenethyl ester;Benzyldimethylcarbinyl butyrate;α,α-Dimethylphenethyl butyrate;Dimethylbenzylcarbinyl butyrate
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CAS No:
Description
colorless liquid α,α-Dimethylphenylethyl Butyrate is a colorless liquid with a slightly herbal, strongly fruity odor,reminiscent of prune and apricot. It is used in perfumery as a modifier of the alcohol and for oriental notes. α,α-Dimethylphenethyl butyrate has a mild, herbaceous, fruity (plum–prune) odor and an apricot-, peach-, plum-like taste
Liquid|Colourless liquid; Mild, herbaceous, fruity aroma
Dimethylbenzylcarbinyl butyrate Basic Attributes
220.31
220.31
233-221-8
3Q0C60547R
DTXSID5038830
2915600000
Characteristics
26.3
4.06
Colourless liquid; Mild, herbaceous, fruity aroma
0.969 g/mL at 25 °C(lit.)
237-255 °C(lit.)
>230 °F
n 20/D 1.4839(lit.)
5.701 mg/L @ 25 °C (est)|Soluble in mineral oil and most fixed oils; insoluble in water and propylene glycol|Soluble (in ethanol)
0.00168mmHg at 25°C
Oral-rat LD50: > 5000 mg/kg; Skin-rabbit LD50; >5000 mg/kg
Flammable; burning produces irritating fumes
Safety Information
UN30829/PG3
2
38-43-51/53
36/37-61
ET0130000
Xi,N
Ventilated, low temperature and dry
P280
H315-H317
|H411 (93.83%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 1929 companies from 11 notifications to the ECHA C&L Inventory.
Dimethylbenzylcarbinyl butyrate Use and Manufacturing
It is formed by direct esterification of dimethylbenzyl methanol and butyric acid.
Mainly used to prepare flavors of plum, apricot and dried fruit
Odor agents
Air care products
100,000 - 500,000 lb
All other chemical product and preparation manufacturing|Butanoic acid, 1,1-dimethyl-2-phenylethyl ester: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:220.31
XLogP3:3.5
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
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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