Benzyl-2-methylcrotonat

Benzyl tiglate

HCID 250096
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Grundinformationen

CAS
37526-88-8
Standard-SMILES
C/C=C(\C)C(=O)OCc1ccccc1
InChIKey
QRGSTISKDZCDHV-XCVCLJGOSA-N
Summenformel
C12H14O2
Durchschnittliche Molmasse
190,24 g/mol
Monoisotopische Masse
190,09937969

Überblick

Benzyl trans-2-methyl-2-butenoate is a carboxylic ester. It is functionally related to a benzyl alcohol.

Namen und Bezeichner

Bevorzugter Name
Benzyl tiglate
IUPAC
benzyl (E)-2-methylbut-2-enoate
Lokaler Name
Benzyl-2-methylcrotonat
Englischer Name
Benzyl tiglate
Summenformel
C12H14O2
Molmasse
190.24

Namen und Synonyme

Benzyl tiglateTiglic Acid Benzyl EsterBenzyl trans-2,3-dimethylacrylateBenzyl trans-2-methyl-2-butenoateBenzyl 2-methylcrotonate(E)-benzyl tiglateBenzyl trans-2-methylcrotonateFEMA No. 33302-Butenoic acid, 2-methyl-, phenylmethyl ester, (2E)-2-Butenoic acid, 2-methyl-, phenylmethyl ester, (E)-2-Butenoic acid, 2-methyl-, phenylmethyl ester67UEP899RR
Weitere Namen anzeigen
FEMA 3330Benzyl Tiglate >Benzyl-2-methylcrotonatBenzyl Tiglate USP/EP/BPBENZYL 2-METHYL-2-BUTENOATE-Benzyl 2-methylbut-2-enoate
Benzyl (E)-2-methyl-2-butenoateEINECS 253-544-8EINECS 266-880-5NSC 69098NSC-69098trans-2-Butenoic acid, 2-methyl-, phenylmethyl esterBENZYL TIGLATE [FHFI]Phenylmethyl 2-methyl-2-butenoate, (E)-

Datenbank-Bezeichner

CAS
37526-88-8、67674-41-3
PubChem CID
250096
DTXSID
DTXSID3047130
ChEMBL
CHEMBL3186295
ChEBI
CHEBI:187225
UNII
67UEP899RR
EC Number
253-544-8、266-880-5
Nikkaji
J184.208K、J333.293D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
4
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (Benzyl trans-2-methyl-2-butenoate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.029-1.040
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Boiling Point250 °C

Physikochemische Eigenschaften

Siedepunkt
139 °C9 · 139 °C9 mm Hg(lit.)
Dichte
1.031 g/mL · 1.031 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.522(lit.)
FEMA
3330 · 3330 | BENZYL TRANS-2-METHYL-2-BUTENOATE
Flammpunkt
230 °F · >230 °F
storage temp.
Store at room temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 64% (121 of 189) of all reports.

Warning

H315 (36%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 189 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2-Butenoic acid, 2-methyl-, phenylmethyl ester, (E)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Butenoic acid, 2-methyl-, phenylmethyl ester, (2E)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Butenoic acid, 2-methyl-, phenylmethyl ester, (E)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (36%)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29161900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Use Classification · 4 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 Einträge

2-Butenoic acid, 2-methyl-, phenylmethyl ester, (2E)-: ACTIVE

2-Butenoic acid, 2-methyl-, phenylmethyl ester: INACTIVE

Anwendungen · 2 Einträge

OccurrenceReported found in clove bud and rose apple (Syz. jambos Alston).

VerwendenTiglic Acid Benzyl Ester is found as one of the Geranium essential oils, and essential oil and solvent extracts of Iris planifolia (Mill) from Algeria, possessing antibacterial activity. It is also the starting material in the synthesis of (S)-α-Acetolactic Acid (A163805).

Darstellung

synthetischeBy direct esterification of tiglic acid with benzyl alcohol under azeotropic conditions.

Vor- und nachgelagerte Produkte

Anbieter59 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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

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