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2-アミノ安息香酸1-ビニル-1,5-ジメチル-4-ヘキセニル

Linalyl anthranilate

HCID 23535
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
7149-26-0
標準SMILES
C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1N
InChIKey
WHIJSULEEDNKPD-UHFFFAOYSA-N
分子式
C17H23NO2
平均分子量
273.37 g/mol
単同位体質量
273.17287898

概要

Linalyl anthranilate is a yellow-orange liquid. Insoluble in water. (NTP, 1992)

名称と識別子

優先名称
Linalyl anthranilate
IUPAC
3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate
現地名
2-アミノ安息香酸1-ビニル-1,5-ジメチル-4-ヘキセニル
英語名
LINALYL ANTHRANILATE
分子式
C17H23NO2
分子量
273.37

名称と別名

LINALYL ANTHRANILATE7149-26-0Anthranilic acid, linalyl esterLinalyl O-aminobenzoateLinalyl 2-aminobenzoateFEMA No. 26373,7-Dimethyl-1,6-octadien-3-yl 2-aminobenzoate1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoateNSC 720261,5-Dimethyl-1-vinyl-4-hexen-1-yl o-aminobenzoate1,5-Dimethyl-1-vinyl-4-hexenyl anthranilateCCRIS 4835
名称をさらに表示
2-アミノ安息香酸リナリルアントラニル酸リナリル2-アミノ安息香酸1-ビニル-1,5-ジメチル-4-ヘキセニルリナリルアントラニレ-トLINALYLANTRANILATE3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoateNSC72026FEMA 2637NSC-72026Linallyl anthranilatelinalylo-aminobenzoate
Anthranilic acid, 1,5-dimethyl-1-vinyl-4-hexenyl esterDTXSID20255033,7-Dimethyl-1,6-octadien-3-yl, anthranilate3,7-Dimethyl-1,6-octadien-3-yl o-aminobenzoate1,6-Octadien-3-ol, 3,7-dimethyl-, o-aminobenzoateEINECS 230-472-5FPW8XDE0404-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, o-aminobenzoate

物性

構造計算による物性

XLogP
4.8
極性表面積
52.3 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
7
重原子数
20
形式電荷
0
複雑度
371

実験および物理化学的性質

FragrancesFragrance Ingredient (Linalyl anthranilate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.052-1.058 (15.5 °C)
Flavoring AgentsEU Flavoring substances
Solubility · 3 件

Insoluble (NTP, 1992)

Insoluble in water; Soluble in dimethyl sulphoxide

Soluble (in ethanol)

Boiling Point · 2 件

370.00 to 371.00 °C. @ 760.00 mm Hg

370-371 °C

Refractive Index1.516-1.522
Physical Description · 3 件

Linalyl anthranilate is a yellow-orange liquid. Insoluble in water. (NTP, 1992)

Liquid

Pale straw-coloured oily liquid; Gardenia-like aroma

物理化学的性質

沸点
416.39 °C · 416.39°C (rough estimate)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 85.8% (235 of 274) of all reports.

Warning

H315 (14.2%): 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 274 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate

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

1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate: Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Air and Water ReactionsThis compound is sensitive to air and light. (NTP, 1992). Insoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (14.2%)

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information1,6-Octadien-3-ol, 3,7-dimethyl-, 3-(2-aminobenzoate): ACTIVE
応用分野 · 3 件

説明Linalyl anthranilate has a sweet orange-like flavor. The fragrance varies, depending on the source of linalool. May be synthesized from linalool and isatoic anhydride with catalytic amounts of sodium hydroxide; from linalyl formate plus methylanthranilate with sodium linalool.

天然物の起源Has apparently not been reported to occur in nature

一般的な説明Yellow-orange liquid. Insoluble in water.

調製方法

製造方法From linalool and isatoic anhydride with catalytic amounts of sodium hydroxide; from linalyl formate plus methylanthra nilate with sodium linalool.

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関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
7149-26-0
PubChem CID
23535
DTXSID
DTXSID2025503
ChEMBL
CHEMBL3185660
ChEBI
CHEBI:88541
UNII
FPW8XDE040
EC Number
230-472-5
Nikkaji
J55.380H
比重(密度)
1.0101 · 1.0101 (rough estimate)
屈折率
1.52 · 1.5200 (estimate)
FEMA
2637 · 2637 | LINALYL ANTHRANILATE
貯蔵温度
2 · 2-8°C
酸解離定数(Pka)
2.12 · 2.12±0.10(Predicted)
色
淡い麦わら色の油状液体
臭い (Odor)
100 %で。新鮮なリナロール · 100.00%で。新鮮なリナロール オレンジの花 ハーブ クチナシ ウッディ
においのタイプ
花柄
JECFA Number
1540 · 1540
化粧品成分の機能
香料
LogP
5.98 · 5.98
EPAの化学物質情報
Linalyl anthranilate (7149-26-0)

化学的性質

化学的特性Linalyl anthranilate has a gardenia-like aroma and a sweet, orange-like flavor. The fragrance varies, depending on the source of linalool from which it is made.

安全と保護具

Fire Fighting · 1 件

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1 件

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 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, 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 alcohol followed by washing with a strong 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) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

tsca
TSCA listed
毒性
LD50 orl-rat: 4250 mg/kg FCTXAV 14(5),443,76
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
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