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Allylanthranilat

Allyl anthranilate

HCID 24116
NotizenReaktionen
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
7493-63-2
Standard-SMILES
C=CCOC(=O)c1ccccc1N
InChIKey
UCANFCXAKYMFGA-UHFFFAOYSA-N
Summenformel
C10H11NO2
Durchschnittliche Molmasse
177,2 g/mol
Monoisotopische Masse
177,07897859

Überblick

Allyl anthranilate is a clear golden liquid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Allyl anthranilate
IUPAC
prop-2-enyl 2-aminobenzoate
Lokaler Name
Allylanthranilat
Englischer Name
ALLYL ANTHRANILATE
Summenformel
C10H11NO2
Molmasse
177.2

Namen und Synonyme

ALLYL ANTHRANILATE7493-63-2Allyl 2-aminobenzoate2-Propenyl 2-aminobenzoateAnthranilic acid, allyl esterAllyl O-aminobenzoate2-Propen-1-yl anthranilateVinyl carbinyl anthranilateBenzoic acid, 2-amino-, 2-propenyl esterFEMA No. 20202-Propen-1-yl 2-aminobenzoateprop-2-en-1-yl 2-aminobenzoate
Weitere Namen anzeigen
FEMA 2020prop-2-enyl 2-aminobenzoateAllyl AnthraniliateALLYL ANTHRANILATE 98+%Anthanilic acid allyl esterAllyl Anthraniliate USP/EP/BP2-Aminobenzoic acid allyl ester
CCRIS 6207DTXSID3024441EINECS 231-331-0NSC 147476AI3-36005UNII-81T0041N82NSC-147476DTXCID804441

Datenbank-Bezeichner

CAS
7493-63-2
PubChem CID
24116

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,5
Polarare Oberfläche (TPSA)
52,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
4
Schwere Atome
13
Formalladung
0
Komplexität
191

Experimentelle und physikochemische Eigenschaften

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.12
Flavoring AgentsEU Flavoring substances
Solubility · 3 Einträge

Insoluble (<1mg/ml) (NTP, 1992)

Almost insoluble in water, soluble in essential oils, poorly soluble in propylene glycol

(in ethanol)

Flash Pointgreater than 200 °F (NTP, 1992)
Boiling Point · 2 Einträge

105.00 °C. @ 2.00 mm Hg

105 °C (2mm Hg)

Refractive Index1.569-1.577
Physical Description · 2 Einträge

Allyl anthranilate is a clear golden liquid. (NTP, 1992)

Colourless to pale yellow liquid with a sharp heavy grape-like sweet odour and a green topnote

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzoic acid, 2-amino-, 2-propenyl ester

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

Benzoic acid, 2-amino-, 2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: Toxic; fire hazard. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile · 1 Eintrag

The unsaturated aliphatic hydrocarbons are generally much more reactive than the alkanes, which are saturated aliphatic hydrocarbons. Strong oxidizers may react vigorously with them. Reducing agents can react exothermically to release gaseous hydrogen. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Anwendungen · 1 Eintrag

VerwendenAllyl Anthranilate is a synthetic flavoring agent that is a light yel- low colored liquid of green leaf-wine odor. it is stable but may cause discoloration. it should be stored in glass or tin containers. it is used as flavoring for its wine note and has application in beverages and candy at 1–2 ppm.

Anbieter27 Anbieter

常州帝通化工有限公司+86-0519-88298848 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]

Zugehörige Reaktionen

1
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 1736361
HRID 1736361als Produktuspto-grants-1996_07

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
DTXSID
DTXSID3024441
ChEMBL
CHEMBL1606698
ChEBI
CHEBI:178980
UNII
81T0041N82
EC Number
231-331-0
Nikkaji
J180.744G

Physikochemische Eigenschaften

Schmelzpunkt
224 · 224-228 °C(lit.)
Siedepunkt
105 °C2 · 105 °C2 mm Hg(lit.)
Dichte
1.118 g/mL · 1.118 g/mL at 25 °C(lit.)
FEMA
2020 · 2020 | ALLYL ANTHRANILATE
Brechungsindex
20 · n20/D 1.574(lit.)
Flammpunkt
110 °C · 110 °C
storage temp.
2 · 2-8°C
Löslichkeit
Almost insoluble in water. Miscible with alcohol and oils, poorly soluble in Propylene glycol.
pka
2.18 · 2.18±0.10(Predicted)
Farbe
Colorless or pale yellowish liquid.
Geruch (Odor)
100 % · at 100.00 %. green leaf floral grape
Geruchsart
floral
JECFA Number
20 · 20
Major Application
pharmaceutical (small molecule)
InChI
1S/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2
InChIKey
UCANFCXAKYMFGA-UHFFFAOYSA-N
SMILES
Nc1ccccc1C(=O)OCC=C
LogP
2.87 · 2.87
EPA chemische Informationen
Allyl anthranilate (7493-63-2)
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: When working with this chemical, you should wear impervious coveralls, shoe covers and gloves.

Sicherheitsdaten

wgk
3
hs_code
2922498050
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Speicherklasse
10 - Combustible liquids
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
BOC Sciences[email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
杭州药睿易成生物医药有限公司18072846723 19357267848 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]