10-ウンデセナール
10-Undecenal
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基本情報
- CAS
112-45-8- 標準SMILES
C=CCCCCCCCCC=O- InChIKey
OFHHDSQXFXLTKC-UHFFFAOYSA-N- 分子式
- C11H20O
- 平均分子量
- 168.28 g/mol
- 単同位体質量
- 168.15141526
概要
10-undecenal is an undecenal in which the C=C bond is at the 10-11 position.
名称と識別子
- 優先名称
- 10-Undecenal
- IUPAC
- undec-10-enal
- 現地名
- 10-ウンデセナール
- 英語名
- 10-Undecenal
- 分子式
- C11H20O
- 分子量
- 168.28
名称と別名
10-UndecenalUndec-10-enal112-45-8Undecylenic aldehydeHendecenalUndecylenaldehyde10-Hendecenal1-Undecen-10-al10-UndecylenealdehydeundecylenalC-11 aldehyde, undecylenicAldehyde C-11, undecylenic
名称をさらに表示
10-ウンデセナール10-ウンデセン-1-アール10-ウンデシレンアルデヒド10-ウンデセニルアルデヒドヘンデセナール10-ウンデセン-1-オンウンデシレン酸アルデヒドウンデシレンアルデヒドウンデセナール10-ウンデセナ?ルウンデカ-10-エナール9-デセン-1-カルボアルデヒドINTRELEVEN ALDEHYDE10-UNDECENYL ALDEHYDEFEMA 23639-UNDECENAL10-UNDECEN-1-ALintreleven aldehyde (IFF)ALDEHYDE C11 ENIC/UNDECYLENIC ALDEHYDE
FEMA No. 3095EINECS 203-973-1NSC 44900BRN 1746480DU1OTA08RYAldehyde C-11 undecylenicAI3-03940NSC-44900
データベース識別子
- CAS
112-45-8- PubChem CID
- 8187
- DTXSID
DTXSID3037757- ChEMBL
CHEMBL3185269- ChEBI
CHEBI:125536- UNII
- DU1OTA08RY
- EC Number
- 203-973-1
- Nikkaji
- J61.751B
物性
構造計算による物性補完中
- XLogP
- 3.8
- 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
- 9
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 108
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (10-Undecenal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.840-0.850
Flavoring AgentsEU Flavoring substances
Solubility
30 mg/L @ 20 °C (exp)
soluble in propylene glycol and most fixed oils; insoluble in glycerol and water
(in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point
98.00 to 100.00 °C. @ 3.00 mm Hg
235 °C
Refractive Index1.441-1.447
Physical Description
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
Warning
H315 (97.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1818 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H227: Combustible liquid [Warning Flammable liquids]
危険有害性情報
Regulatory Information
Chemical: 10-Undecenal
Regulation (EC) No 1831/2003 (amended)
10-Undecenal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 10-Undecenal are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Undec-10-enal (EC: 203-973-1)
10-Undecenal: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (97.2%)
Flammable liquids - Category 4
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- YQ2835000
- ridadr
- NA1993
- 毒性
- rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 11, Pg. 479, 1973.
- hs_code
- 29121900
- risk_code
- 38-10
- 化審法
- (2)-2464
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 30 consumer products that contain Undecylenal in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
10-Undecenal: ACTIVE
応用分野
用途シ トラス系香料 と して多 くの化粧品香料,食品香料に用いられる。
用途有機合成(和光試薬時報Vol.63 No.4,p.26(1995))。
天然物の起源Reported found in coriander leaf (Coriandrum sativum L.).
使用10-Undecylenic Aldehyde is derived from the reduction of Undecylenic Acid (U788820) which is used for the manufacture of pharmaceuticals, cosmetics and perfumery, including antidandruff shampoos, antimicrobial powders and as a musk in perfumes and aromas.
調製方法
関連反応
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