deca-2,4-dienal

• ChemBase编号: 110120
• 分子式: C10H16O
• 平均质量: 152.23344
• 单一同位素质量: 152.12011513
• SMILES: CCCCC/C=C/C=C/C=O
• Canonical SMILES: CCCCC/C=C/C=C/C=O
• InChI: InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3
• InChIKey: JZQKTMZYLHNFPL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: deca-2,4-dienal; (2E,4E)-deca-2,4-dienal
• IUPAC系统名: (2E,4E)-Deca-2,4-dienal
• IUPAC传统名: deca-2,4-dienal; (E,E)-2,4-decadienal
• 别名: 反,反-2,4-癸二烯醛; 反式-2,4-癸二烯醛; (2E,4E)-2,4-Decadienal; (2E,4E)-Deca-2,4-dienal; (2E,4E)-Decadienal; (E,E)-2,4-Decadien-1-al; (E,E)-2,4-Decadienal; 2-trans,4-trans-Decadienal; trans,trans-2,4-Decadien-1-al; trans,trans-2,4-Decadienal; trans-2,trans-4-Decadienal; trans,trans-2,4-Decadienal; (2E,4E)-Deca-2,4-dienal; trans,trans-2,4-Decadienal; 2,4-DECADIEN-1-AL; (E,E)-2,4-Decadienal

登记号

• CAS号: 25152-84-5
• EC号: 246-668-9
• MDL号: MFCD00007007
• Beilstein号: 1704897
• PubChem SID: 24901481; 162096389; 24850872
• PubChem CID: 5283349
• CHEMBL: 443949
• Chemspider ID: 4446470
• FEMA编号: 3135
• 医学主题词(MeSH): 2-trans-4-trans-Decadienal
• 美国药典/FDA物质标识码: 3G88X2RK09
• 维基百科标题: (E,E)-2,4-Decadienal
• 欧洲委员会编号: 2120
• Flavis Number: 5.14

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.0664563
• LogD (pH = 7.4): 3.0664563
• Log P: 3.0664563
• 摩尔折射率: 50.7621 cm^3
• 极化性: 18.762976 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 110°C/7mm; 114.85°C (388K) (at 1.3 kPa); 114-116 °C/10 mmHg(lit.)
• 闪点: 101 °C; 101°C(213°F); 213.8 °F
• 密度: 0.872; 0.872 g/mL at 20 °C(lit.)
• 折射率: 1.515; 1.5160; n20/D 1.515(lit.)
• 蒸汽密度: >1 (vs air)
• 分配系数: 3.419
• 感官: citrus; fatty; meaty

安全信息

• 保存注意事项: Air Sensitive
• RTECS编号: HD3000000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 36/37/38; 36/38
• 安全公开号: 26-36; 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• 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

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: 85%; 90+%, remainder mainly trans,cis isomer; 95+%
• 级别: FG; Halal; Kosher; NI; technical grade
• 其他组分: 0.50% alpha-tocopherol, synthetic as antioxidant
• 线性分子式: CH3(CH2)4CH=CHCH=CHCHO

详细说明

MP Biomedicals - 05213828

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 180513

包装
1, 5 g in glass bottle

Sigma Aldrich - W313505

包装
玻璃瓶包装

Toronto Research Chemicals - D210500

trans,trans-2,4-Decadienal is an aldehyde with a fat flavor aroma characteristic of chicken but has a citrus odor at lower concentrations. trans,trans-2,4-Decadienal can be found in butter, cooked beef, fish, potato chips, roasted peanut, buckwheat and wh

参考文献

• Janes, D. et al.: Food Chem., 112, 120 (2008)
• Vermeulena, N. et al.: J. Cer. Sci., 45, 78 (2008)