uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07084166B2
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IDENTITY
结构与身份
- 标准SMILES
- CCCCCCCCCCCCCC=O
- InChIKey
- UHUFTBALEZWWIH-UHFFFAOYSA-N
- 分子式
- C14H28O
- 平均分子量
- 212.37 g/mol
- 单同位素质量
- 212.21401551
COMPUTED
结构计算性质
- XLogP
- 6
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 12
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 121
PROPERTIES
实验与物化性质
Density
0.825-0.830
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 Point
30 °C
Refractive Index
1.438-1.445
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
GHS
GHS分类
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.
HAZARDS
危害信息
Regulatory Information
Chemical: Tetradecanal
Tetradecanal: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Tetradecanal: Environment tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (99.1%)；Eye Irrit. 2 (99.1%)
REGULATORY
法规信息
Regulatory Information
Chemical: Tetradecanal
Tetradecanal: Does not have an individual approval but may be used under an appropriate group standard
PHARMACOLOGY
药理信息
Cellular Locations
Extracellular；Membrane
USES
用途与制造
Household Products
Information 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 Information
Tetradecanal: ACTIVE
ALIASES
名称与别名
TETRADECANAL124-25-4MyristaldehydeMyristic aldehyden-TetradecanalTetradecyl aldehyde1-TetradecanalTetradecylaldehydeMyristylaldehydeFEMA No. 276344AJ2LT15NNSC-66435CHEBI:84067RefChem:188488204-692-7Aldehyde C-14Myristyl AldehydeC-14 aldehyde, myristicAldehyde C-14, myristicn-Tetradecyl aldehyde
REACTIONS
参与反应
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