基本情報
- CAS
124-25-4- 標準SMILES
CCCCCCCCCCCCCC=O- InChIKey
UHUFTBALEZWWIH-UHFFFAOYSA-N- 分子式
- C14H28O
- 平均分子量
- 212.37 g/mol
- 単同位体質量
- 212.21401551
名称と識別子
- 優先名称
- Tetradecanal
- IUPAC
- tetradecanal
- 現地名
- テトラデカン-1-アール
- 英語名
- Tetradecanal
- 分子式
- C14H28O
- 分子量
- 212.37
名称と別名
TETRADECANAL124-25-4MyristaldehydeMyristic aldehyden-TetradecanalTetradecyl aldehyde1-TetradecanalTetradecylaldehydeMyristylaldehydeFEMA No. 276344AJ2LT15NNSC-66435
名称をさらに表示
ミリスチンアルデヒドテトラデカン-1-アールミリスチックアルデヒドテトラデカナールミリスチルアルデヒドミリストアルデヒドテトラデカンアルデヒドテトラデシルアルデヒドFEMA 27631-tetradecylaldehyde1-Tetradecyl aldehydeALDEHYDE C-14 MYRISTICNSC 66435
CHEBI:84067RefChem:188488204-692-7Aldehyde C-14Myristyl AldehydeC-14 aldehyde, myristicAldehyde C-14, myristicn-Tetradecyl aldehyde
データベース識別子
- CAS
124-25-4- PubChem CID
- 31291
- DTXSID
DTXSID1021665- ChEMBL
CHEMBL2228569- ChEBI
CHEBI:84067- UNII
- 44AJ2LT15N
- EC Number
- 204-692-7
- Nikkaji
- J1.509A
物性
構造計算による物性
- XLogP
- 6
- 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
- 12
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 121
実験および物理化学的性質
Density0.825-0.830
Solubility
soluble inmost organic solvents; Insoluble in water
1 ml in 1 ml of 80% alcohol (in ethanol)
Boiling Point
166.00 °C. @ 24.00 mm Hg
260 °C
Melting Point30 °C
Refractive Index1.438-1.445
Physical Description
Solid
colourless to pale yellow liquid/fatty, orris-like odour
Kovats Retention Index
1592；1596；1588；1588；1595；1596；1596；1607；1596；1593；1591；1592；1594；1621；1592；1592；1591；1592；1607；1601
1632；1606；1611；1614.5；1581；1607；1611；1625；1613；1615；1613；1611；1605；1611；1612；1600；1609；1612；1609；1605
1919；1924；1921；1927；1940；1940；1940；1943；1888；1908；1940；1908；1929；1910；1920；1927；1927；1933；1937；1935
物理化学的性質
- 融点
- 23 °C · 23°C(lit.)
- 沸点
- 166 °C/24mmHg · 166°C/24mmHg(lit.)
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
This chemical does not meet GHS hazard criteria for 0.9% (13 of 1463) of reports.
Warning
H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (99.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1463 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 13 of 1463 reports by companies.；There are 2 notifications provided by 1450 of 1463 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
Chemical: Tetradecanal
Tetradecanal: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Tetradecanal: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (99.1%)；Eye Irrit. 2 (99.1%)
法規制情報
Regulatory Information
Chemical: Tetradecanal
Tetradecanal: Does not have an individual approval but may be used under an appropriate group standard
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 Myristaldehyde in the following categories is provided:；• Commercial / Institutional
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationTetradecanal: ACTIVE
応用分野
説明Myristaldehyde (Tetradecanal) has a strong, fatty, orris-like odor with a sweet, fatty, “citrus-peel” flavor (diluted). Industrially prepared from the corresponding myristic acid.
天然物の起源Tetradecanal is reported found in the essential oils of Ocotea usambarensis Engl., Pinus sabiniana Dougl.; also reported found in kumquat peel, ginger, chicken fat, hop oil, apricot, citrus peel oils and juices, bilberry, blackberry, cucumber, cassia leaf, butter, parmesan cheese, milk powder, cooked chicken, beef, cured pork, beer, peanuts, trassi, coriander leaf, dried bonito, cherimoya, mountain papaya, scallop and angelica root oil.
使用A major component of the essential oil found in the leaves of Azadirachta indica.
調製方法
製造方法Industrially prepared from the corresponding myristic acid
上流・下流製品情報
上流原料
関連反応
8 件
化合物ノート
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