p-Menth-1-en-8-ylpropionat

Terpinyl propionate

HCID 62328CAS 62395-45-3
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Grundinformationen

Standard-SMILES
CCC(=O)OC(C)(C)C1CC=C(C)CC1
InChIKey
CMKQOKAXUWQAHG-UHFFFAOYSA-N
Summenformel
C13H22O2
Durchschnittliche Molmasse
210,31 g/mol
Monoisotopische Masse
210,16197994

Überblick

Alpha-Terpineol propanoate is a p-menthane monoterpenoid.

Namen und Bezeichner

Bevorzugter Name
Terpinyl propionate
IUPAC
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate
Lokaler Name
p-Menth-1-en-8-ylpropionat
Englischer Name
TERPINYL PROPIONATE
Summenformel
C13H22O2
Molmasse
210.31

Namen und Synonyme

Terpinyl propionatealpha-Terpinyl propionateTerpineol propionateTerpineol, propanoatep-Menthanyl propionatep-Menth-1-en-8-yl propionatep-Menth-1-en-8-yl propanoatePropionic acid, terpineol ester.alpha.-Terpinyl propionateFEMA No. 305362395-45-3DTXSID3044833
Weitere Namen anzeigen
FEMA 30533-Cyclohexene-1-methanol,.alpha.,.alpha.,4-trimethyl-,propanoateTerpenyl propionateTerpinyl n-propionatea-Terpinyl propionateALPHA-TERPINYLPROPIONATETerpinyl propionate esterp-Menth-1-en-8-ylpropionat
EINECS 201-266-2EINECS 263-530-37JE9M43B3KAI3-243773-CYCLOHEXENE-1-METHANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, PROPANOATEalpha,alpha,4-Trimethyl-3-cyclohexene-1-methyl propionate3GKH6X9TE3MENTHEN-1-YL-8-ATE

Datenbank-Bezeichner

CAS
62395-45-3、80-27-3
PubChem CID
62328
DTXSID
DTXSID3044833
ChEMBL
CHEMBL3188389
ChEBI
CHEBI:174065
UNII
7JE9M43B3K
EC Number
201-266-2、263-530-3
Nikkaji
J141.005I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,9
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
4
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (Terpinyl propionate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.947-0.952
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

soluble in glycerol; slightly soluble in propylene glycol; insoluble in water; miscible with alcohol, chloroform, ether, most fixed oils

1 ml in 2 ml 80% alcohol (in ethanol)

Boiling Point · 2 Einträge

274.00 to 275.00 °C. @ 760.00 mm Hg

240 °C

Physikochemische Eigenschaften

Siedepunkt
240 °C · 240 °C(lit.)
Dichte
0.949 g/mL · 0.949 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.464(lit.)
FEMA
3053 · 3053 | TERPINYL PROPIONATE
Flammpunkt
71 °C · 71 °C
Löslichkeit
Practically insoluble in water, soluble in alcohol and oils

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 98.9% (92 of 93) of all reports.

Not Classified

Aggregated GHS information provided per 93 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate

Chemical: Terpineol, propanoate

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 Einträge

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

IMAP assessments - 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate: Environment tier I assessment

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk
2
tsca
TSCA listed
Toxizität
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

Use Classification · 5 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 Einträge

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-propanoate: ACTIVE

Terpineol, propanoate: INACTIVE

Anwendungen · 2 Einträge

OccurrenceReported found in citrus fruit and celery; also the racemic form (dl) has been identified in cardamom.

VerwendenAlpha-Terpineol propanoate has acquired fame as a modifier for Lavender and Bergamot but it is really no match for Linalyl acetate or Ethyl Iinalyl acetate except that the Terpinyl propionate is very stable in alkaline media. It is therefore often used in soap, where its low cost is also appreciated. It finds a little use in fruit complex flavor compositions, mainly in Citrus fruits, Lime, Spice (Cardamom) etc. The concentration will be about 1 to 10 ppm in the finished product.

Darstellung

synthetischeBy esterification of terpineols.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter18 Anbieter

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]

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