120-40-1

• 常用中文名：N,N-二乙醇十二酰胺
• 常用英文名：Lauric Acid Diethanolamide
• CAS号：120-40-1
• 分子式：C₁₆H₃₃NO₃
• 分子量：287.43800
• 发布时间：2018-05-09 08:00:00
• 更新时间：2024-01-04 13:27:39
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名称

• 中文名: N,N-二乙醇十二酰胺
• 英文名: Lauric Acid Diethanolamide
• 中文别名: N,N-二(2-羟乙基)十二烷基酰胺; 月桂酰胺 DEA; 二乙醇胺月桂酸
• 英文别名: EINECS 204-393-1; MFCD00045982; N,N-Bis(2-hydroxyethyl)dodecanamide

物化性质

• 密度: 1.057
• 沸点: 87-89 °C (12 mmHg)
• 熔点: 38.7ºC
• 分子式: C₁₆H₃₃NO₃
• 分子量: 287.43800
• 闪点: 86 °C
• 精确质量: 287.24600
• PSA: 60.77000
• LogP: 2.72050
• 外观性状: 灰白色蜡质固体
• 蒸汽压: 1.15E-08mmHg at 25°C
• 折射率: 1.5346-1.5366
• 储存条件: 库房通风低温干燥
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：83.86

  2、 摩尔体积（m³/mol）：301.6

  3、 等张比容（90.2K）：744.4

  4、 表面张力（dyne/cm）：37.0

  5、 极化率（10^-24cm³）：33.24

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.5

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:14

  5.互变异构体数量:无

  6.拓扑分子极性表面积60.8

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:216

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : JR1925000 CHEMICAL NAME : Dodecanamide, N,N-bis(2-hydroxyethyl)- CAS REGISTRY NUMBER : 120-40-1 BEILSTEIN REFERENCE NO. : 1791417 LAST UPDATED : 199712 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C16-H33-N-O3 MOLECULAR WEIGHT : 287.50 WISWESSER LINE NOTATION : Q2N2QV11 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2700 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JSCCA5 Journal of the Society of Cosmetic Chemists. (Soc. of Cosmetic Chemists, 1995 Broadway, Suite 1701, New York, NY 10023) V.1- 1947- Volume(issue)/page/year: 13,469,1962 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M3417 No. of Facilities: 15809 (estimated) No. of Industries: 54 No. of Occupations: 49 No. of Employees: 155446 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M3417 No. of Facilities: 14469 (estimated) No. of Industries: 73 No. of Occupations: 84 No. of Employees: 792326 (estimated) No. of Female Employees: 638641 (estimated)

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R42:May cause sensitization by inhalation. R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
• 安全声明 (欧洲): S45-S36/37/39-S26-S23-S37/39-S28-S27
• 危险品运输编码: 2206
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2924199090

合成路线

112-16-3 111-42-2 ~90% 120-40-1

文献：EP550006 A2, ;

143-07-7 111-42-2 ~97% 120-40-1

文献：US2010/10244 A1, ; Page/Page column 6 ;

111-82-0 111-42-2 ~58% 120-40-1

文献：Journal of agricultural and food chemistry, , vol. 49, # 12 p. 5761 - 5764

538-24-9 111-42-2 ~31% 120-40-1

文献：Journal of agricultural and food chemistry, , vol. 49, # 12 p. 5761 - 5764

111-42-2 ~% 120-40-1

文献：US2005/107623 A1, ; Page/Page column 3-4 ;

25859-09-0 ~% 120-40-1

文献：Journal of Organic Chemistry, , vol. 20, p. 990,994

645-66-9 111-42-2 ~36% 120-40-1

文献：Journal of agricultural and food chemistry, , vol. 49, # 12 p. 5761 - 5764

106-33-2 111-42-2 ~% 120-40-1

文献：Journal of the American Chemical Society, , vol. 59, p. 111 Journal of Organic Chemistry, , vol. 20, p. 993

上下游产品

上游产品  8
112-16-3 111-42-2 143-07-7 111-82-0
645-66-9 538-24-9 106-33-2 25859-09-0
下游产品  6
25859-09-0 2512-14-3 143-07-7 111-42-2
63056-90-6 63056-92-8

海关

海关编码	2924199090
中文概述	2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%