decanal

• ChemBase编号: 90478
• 分子式: C10H20O
• 平均质量: 156.2652
• 单一同位素质量: 156.15141526
• SMILES: O=CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCC=O
• InChI: InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
• InChIKey: KSMVZQYAVGTKIV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: decanal
• IUPAC传统名: decanal
• 别名: 癸醛; 十碳酸醛; 羊蜡醛; 癸醛; Decyl aldehyde; Decanal; caprinaldehyde; Decanal; Decyl aldehyde; Decanal; Capric aldehyde; n-DECYLALDEHYDE

登记号

• CAS号: 112-31-2
• EC号: 203-957-4
• MDL号: MFCD00007031
• Beilstein号: 1362530
• PubChem SID: 24901016; 24894127; 24852818; 24901017; 162077283
• PubChem CID: 8175
• CHEBI ID: 31457
• Chemspider ID: 7883
• FEMA编号: 2362
• KEGG ID: C12307
• 美国药典/FDA物质标识码: 31Z90Q7KQJ
• 维基百科标题: Decanal
• 欧洲委员会编号: 98c; 98
• Flavis Number: 5.01

理论计算性质

• Acid pKa: 17.785515
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.4305546
• LogD (pH = 7.4): 3.4305546
• Log P: 3.4305546
• 摩尔折射率: 48.5522 cm^3
• 极化性: 19.23295 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: clear, colorless liquid; colourless liquid
• 熔点: -5°C; 72 - 74°C
• 沸点: 207-209 °C(lit.); 207-209°C; 207-209 °C; 207-209°C; 208°C; 93-95 °C/10 mmHg
• 闪点: 181.4 °F; 83 °C; 85°C; 85.5°C; 85°C(185°F)
• 密度: 0.828; 0.83; 0.83 g/mL; 0.83 g/mL at 20 °C; 0.83 g/mL at 25 °C(lit.); 0.830 g/ml
• 折射率: 1.4280; n20/D 1.428(lit.); n20/D 1.429
• 蒸汽压: ~0.15 mmHg ( 20 °C)
• 蒸汽密度: >1 (vs air)
• 疏水性(logP): 4.008
• 感官: floral; citrus; sweet; waxy; citrus; floral; sweet

安全信息

• 保存条件: 2-8°C, Store Under Nitrogen
• 保存注意事项: Air Sensitive; Irritant
• RTECS编号: HD6000000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2; 3
• 危险公开号: 36/37/38; R:36/37/38
• 安全公开号: 26-36; 26-37; S:16-23-36/37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H315-H319-H335-H227-H303
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (182.60)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥92%; ≥95%; ≥95.0% (GC); ≥98% (GC); 95%; 96%; 98-99%
• 级别: FG; Kosher; natural; NI
• 杂质: ~0.5% undecanal; ≤2% decanoic acid
• 其他组分: ~0.02% 2,6-di-tert-butyl-4-methylphenol as stabilizer; ~1% H2O as stabilizer
• 线性分子式: CH3(CH2)8CHO

详细说明

MP Biomedicals - 05210258

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150785

Purity: 98-99%
Clear, colorless liquid suitable for use as a substrate for luciferase.
1 ml = approx. 0.83 g

Sigma Aldrich - D7384

包装
25, 100 g in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. D7384.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - W236209

包装
1 kg in glass bottle
8 kg in comp drum
1 sample in glass bottle
20 kg in poly drum

Sigma Aldrich - W236217

包装
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
25 g in poly bottle