| Identification | More | [Name]
Isoamyl benzoate | [CAS]
94-46-2 | [Synonyms]
AMYL BENZOATE
AMYL (ISO) BENZOATE
BENZOIC ACID ISOAMYL ESTER
BENZOIC ACID ISOPENTYL ESTER
FEMA 2058
ISOAMYL BENZOATE
ISOPENTYL BENZOATE
1-(3-Methyl)butyl benzoate
1-Butanol,3-methyl-,benzoate
3-methyl-1-butanobenzoate
3-methylbutyl benzoate
3-methylbutylbenzoate
Benzoic acid, 1-(3-methyl)butyl ester
Benzoic acid, 3-methylbutyl ester
benzoicacid,1-(3-methyl)butylester
benzoicacid3-methylbutylester
benzoicacid3-methyl-butylester
Isopentyl alcohol, benzoate
isopentylalcohol,benzoate
so-Amyl benzoate | [EINECS(EC#)]
202-334-4 | [Molecular Formula]
C12H16O2 | [MDL Number]
MFCD00026515 | [Molecular Weight]
192.25 | [MOL File]
94-46-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless liquid; fruity odor. Insoluble in water;
soluble in alcohol. Combustible. | [Boiling point ]
261-262 °C (lit.) | [density ]
0.99 g/mL at 25 °C(lit.)
| [vapor pressure ]
1hPa at 66℃ | [FEMA ]
2058 | [refractive index ]
n20/D 1.494(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Store below +30°C. | [Water Solubility ]
Insoluble in water | [form ]
clear liquid | [color ]
Colorless | [Odor]
at 100.00 %. sweet balsamic green waxy | [Odor Type]
balsamic | [JECFA Number]
857 | [Merck ]
5113 | [Dielectric constant]
5.1（20℃） | [LogP]
4.272 at 25℃ | [CAS DataBase Reference]
94-46-2(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Butanol, 3-methyl-, benzoate(94-46-2) | [EPA Substance Registry System]
94-46-2(EPA Substance) |
| Safety Data | Back Directory | [WGK Germany ]
2
| [RTECS ]
DH3078000
| [HS Code ]
2916.31.5000 | [Toxicity]
The acute oral LD50 value was reported as 6.33 g/kg in the rat . The acute dermal LD50 for sample no. 71-24 was reported to be > 5 g/kg in the rabbit |
| Hazard Information | Back Directory | [Description]
Isoamyl benzoate has a fruity, slightly pungent odor. May be
prepared by transesterification of methyl benzoate and isoamyl
alcohol in the presence of potassium isoamylate; also by heating
benzoyl chloride and isoamyl acetate. | [Chemical Properties]
Colorless liquid; fruity odor. Insoluble in water;
soluble in alcohol. Combustible. | [Chemical Properties]
Isoamyl benzoate has a mild, sweet, fruit-like odor | [Occurrence]
Reported found in vinegar, cocoa, sweet cherry, papaya, beer, quince, litchi, cherimoya, sea buckthorn
(Hippophae rhamnoides L.) and jackfruit (Artocarpus heterophyllus Larn.) | [Uses]
In perfumery and cosmetics. | [Definition]
ChEBI: 3-Methylbutyl benzoate is a benzoate ester. | [Preparation]
By transesterification of methyl benzoate and isoamyl alcohol in the presence of potassium isoamylate; also by heating
benzyl chloride and isoamyl acetate. | [Taste threshold values]
Taste characteristics at 25 ppm: sweet, fruity with a green tropical nuance. | [Metabolism]
Benzoic acid is metabolized in the mammalian body after conjugation with glycine to form hippuric acid and benzoylglucuronic acid, which are excreted in the urine(Williams, 1959). |
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