(E)-2-トリデセナール

2-Tridecenal

HCID 5283363
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基本情報

CAS
7069-41-2
標準SMILES
CCCCCCCCCC/C=C/C=O
InChIKey
VMUNAKQXJLHODT-VAWYXSNFSA-N
分子式
C13H24O
平均分子量
196.33 g/mol
単同位体質量
196.18271539

名称と識別子

優先名称
2-Tridecenal
IUPAC
(E)-tridec-2-enal
現地名
(E)-2-トリデセナール
英語名
FEMA 3082
分子式
C13H24O
分子量
196.33

名称と別名

2-TRIDECENAL(E)-Tridec-2-enal7774-82-5trans-2-Tridecenal(2E)-2-Tridecenal7069-41-2FEMA No. 3082EINECS 231-883-2UNII-C950P0MYMLC950P0MYMLEINECS 230-362-72-TRANS-TRIDECENAL
名称をさらに表示
(E)-2-トリデセナール3-（2’-メチル-2’-ブテニル）-5-メチル-1，2，3，6-テトラヒドロ無水フタル酸(2E)-トリデカ-2-エナール(E)-2-Tridecanal(E)-2-Tridecenal(E)-tridecen-2-alrans-2-tridecenal(2E)-Tridec-2-enal
2-Tridecenal, (2E)-2-TRIDECEN-1-ALNSC-6176162-TRIDECENAL [FCC]2-TRIDECENAL [FHFI]2-TRIDECENAL, TRANS-DTXSID8052518FEMA 3082

データベース識別子

CAS
7069-41-2、7774-82-5
PubChem CID
5283363
DTXSID
DTXSID8052518
ChEMBL
CHEMBL1995395
ChEBI
CHEBI:184224
UNII
C950P0MYML
EC Number
230-362-7、231-883-2
Nikkaji
J227.363B、J60.731B

物性

構造計算による物性

XLogP
5.3
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
10
重原子数
14

実験および物理化学的性質

Density0.842-0.862
Solubility · 3 件

very slightly

Soluble in most fixed oils; Insoluble in water

Soluble (in ethanol)

Boiling Point · 2 件

115.00 to 118.00 °C. @ 10.00 mm Hg

115-118 °C (10 mm Hg)

Refractive Index1.455-1.461
Physical DescriptionColourless or slightly yellowish liquid; Oily, citus aroma
Kovats Retention Index · 5 件

1541；1541；1544

1571；1582.4；1568.1

1974；1969；1982；1983；1956

1553；1553；1545

1868；1868

物理化学的性質

融点
5 °C · 5°C (estimate)
沸点
115 · 115-118 °C10 mm Hg(lit.)
比重(密度)
0.85 g/mL · 0.85 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.459(lit.)
闪点
230 °F · >230 °F
臭い (Odor)
1 %。ワックス状の柑橘類の皮 · プロピレングリコール中1.00%。ワックス状の柑橘類の皮 みかん 脂肪の多いクリーミーな石鹸のような水っぽいコリアンダー

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 98.9% (1395 of 1411) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 1395 of 1411 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 1411 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1395 of 1411 reports by companies.；There are 2 notifications provided by 16 of 1411 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 4 件

Chemical: 2-Tridecenal

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

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

2-Tridecenal: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Data-poor fragrance chemicals: Environment tier II assessment；IMAP assessments - Chemicals with limited data availability that are used in fragrances: Human health tier II assessment
Hazard Classes and CategoriesNot Classified

法規制情報

Regulatory Information · 4 件

Chemical: 2-Tridecenal

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

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

2-Tridecenal: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
2
rtecs
YD4593000

化学と産業

薬理情報

Cellular LocationsExtracellular；Membrane

用途と製造

Household ProductsInformation on 1 consumer products that contain Tridecenal in the following categories is provided:；• Commercial / Institutional
Use Classification · 5 件

Fragrance Ingredients

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Tridecenal: ACTIVE

サプライヤー11 社

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]

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