3-Methylbutylbutyrat

Isopentyl butyrate

HCID 7795CAS 106-27-4

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Grundinformationen

Standard-SMILES
CCCC(=O)OCCC(C)C
InChIKey
PQLMXFQTAMDXIZ-UHFFFAOYSA-N
Summenformel
C9H18O2
Durchschnittliche Molmasse
158,241 g/mol
Monoisotopische Masse
158,13067982

Namen und Bezeichner

Bevorzugter Name
Isopentyl butyrate
IUPAC
3-Methylbutyl butanoate
Lokaler Name
3-Methylbutylbutyrat
Englischer Name
Isoamyl butyrate
Summenformel
C9H18O2
Molmasse
158.24

Namen und Synonyme

3-methylbutyl butanoate3-METHYLBUTYL BUTYRATEISOPENTYL BUTYRATEIsopentyl butanoate2-METHYLBUTYL BUTANOATEFEMA 2060ISOAMYL BUTANOATE3-methyl-1-butylbutanoate3-methylbutylButyric acid, isopentyl ester

Datenbank-Bezeichner

CAS
106-27-4
PubChem CID
7795
DTXSID
DTXSID3042059
ChEMBL
CHEMBL3187370
ChEBI
CHEBI:87422
UNII
505AFM77VU
EC Number
203-380-8
Nikkaji
J3.243C

Eigenschaften

Physikochemische Eigenschaften

Schmelzpunkt
-73 °C · -73 °C
Siedepunkt
184 · 184-185 °C (lit.)
Dichte
0.862 g/mL · 0.862 g/mL at 25 °C (lit.)
Dampfdichte
5.45 · 5.45 (vs air)
Dampfdruck
1.1 hPa · 1.1 hPa (20 °C)
FEMA
2060 · 2060 | ISOAMYL BUTYRATE

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 3272 3/PG 3
hs_code
29156019
RTECS-Nr.
ET5034000
risk_code
36/37/38

Chemie und Industrie

Anwendungen · 3 Einträge

BeschreibungIsoamyl butyrate has a strong, characteristic, fruity (pear-like) odor and a sweet, corresponding taste. Usually prepared by esterification of commercial isoamyl alcohols with butyric acid by heating in the presence of TwitchelFs reagent; or by fermentation from butyric acid and isoamyl alcohol.

OccurrenceReported found in the oil of Eucalyptus macarthuri and in coconut oil. Also reported found in apple, apricot, banana, kumquat peel oil, guava, grapes, melon, strawberry, tomato, cheeses, beer, cognac, rum, Scotch whiskey, cider, grape wines, port, honey, yellow passion fruit, plum, mango, plum wine, cashew apple, cherimoya, bilberry wine, mountain papaya, Roman chamomile, mastic gum leaf and fruit oil.

VerwendenIsoamyl Butyrate is a synthetic flavoring agent that is a stable, col- orless liquid of strong fruity odor. it is usually prepared by esterifica- tion of isoamyl alcohols with butyric acid. it is soluble in most fixed oils and mineral oil and is insoluble in glycerin and propylene gly- col. storage should be in glass, tin, or resin-lined containers. it is used in fruit flavors such as pineapple, raspberry, and strawberry and has application in dessert gels, puddings, and baked goods at 50–60 ppm.

Darstellung

synthetischeUsually prepared by esterification of commercial isoamyl alcohols with butyric acid by heating in the presence of Twitchell’s reagent; or by fermentation from butyric acid and isoamyl alcohol

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: The butanoate ester of isoamylol.

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