基本信息
- 标准SMILES
CCCCCCCCCCCCCCCCN- InChIKey
FJLUATLTXUNBOT-UHFFFAOYSA-N- 分子式
- C16H35N
- 平均分子量
- 241.46 g/mol
- 单同位素质量
- 241.27695012
概述
Hexadecylamine is a white solid. (NTP, 1992)
名称与标识
- 首选名称
- Hexadecylamine
- IUPAC
- hexadecan-1-amine
- 中文名
- 十六胺
- 英文名
- 1-Hexadecylamine
- 分子式
- C16H35N
- 分子量
- 241.46
名称与别名
展开更多名称
数据库标识
- CAS
143-27-1、68037-95-6- PubChem CID
- 8926
- DTXSID
DTXSID7025390- ChEMBL
CHEMBL1534653- ChEBI
CHEBI:165594- UNII
- O2H0Q02M4P
- EC Number
- 205-596-8
- Nikkaji
- J6.125E
性质
结构计算性质
- XLogP
- 7.4
- 极性表面积
- 26 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 14
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 123
实验与物化性质
Density
0.8129 at 68 °F (NTP, 1992) - Less dense than water; will float
0.8129 @ 20°C
Boiling Point
613 °F at 760 mmHg (NTP, 1992)
322.5 °C @760 [mm Hg]
Physical Description
Hexadecylamine is a white solid. (NTP, 1992)
White waxy solid with an ammoniacal odor; [CAMEO] White crystalline solid with a weak odor; [Alfa Aesar MSDS]
物理化学性质
- 熔点
- 43 · 43-45 °C (lit.)
- 沸点
- 330 °C · 330 °C (lit.)
- 密度
- 0 · 0,813 g/cm3
- 蒸气压
- 1 mm · <1 mm Hg ( 20 °C)
- 折射率
- 1.4496 · 1.4496
- 闪点
- 285 °F · 285 °F
- 储存条件
- 30 °C · Store below +30°C.
- 形态
- Low Melting Crystalline Mass or Chunks
- 酸度系数(pKa)
- 10.63 · 10.63(at 25℃)
- 颜色
- White
- 水溶解性
- insoluble
- BRN
- 1634065 · 1634065
- 化妆品成分功效
- ANTISTATIC
- InChI
- 1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
- InChIKey
- FJLUATLTXUNBOT-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCN
- LogP
- 6.73 at · 6.73 at 25℃
- CAS 数据库
- 143 · 143-27-1(CAS DataBase Reference)
- NIST化学物质信息
- 1 · 1-Hexadecanamine(143-27-1)
- EPA化学物质信息
- Hexadecylamine (143-27-1)
化学性质
白色片状结晶。熔点46.77℃,沸点332.5℃,187(2.0kPa)177.9℃(1.33kPa),162-165℃(0.69kPa),相对密度0.8129(20/4℃),折光率1.4496,闪点140℃。溶于乙醇、乙醚、丙酮、苯和氯仿,不溶于水。可吸收二氯化碳。
安全与法规
GHS分类
GHS Classification
Danger
H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
危害信息
Regulatory Information
Chemical: 1-Hexadecanamine
Status: Active Update: 30-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29504
Hexadecylamine: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
HEXADECYLAMINE may react with oxidizing agents (NTP, 1992). Readily neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Hazard Classes and Categories
Skin Corr. 1 (98%)
Acute toxicity - category 4
安全与防护
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Protective Action Criteria (PAC)
0.66 [mg/m3]
7.2 [mg/m3]
43 [mg/m3]
毒理信息
安全数据
- F
- 34
- wgk
- 2
- tsca
- TSCA listed
- 毒性
- mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD691-490,
- RTECS号
- ML9100000
- 包装类别
- III
- 危险等级
- 8
- 存储类别
- 8A - Combustible corrosive hazardous materials
- 安全说明
- 26-36/37/39-45
- 海关编码
- 29211980
- 危险品标志
- C,Hazard
- 危险性类别
- Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Eye Dam. 1Skin Corr. 1ASTOT RE 2
- 危险类别码
- 34
- 危险品运输编号
- UN 3259 8/PG 2
化学与工业
用途与制造
应用领域
用途用于制取树脂、杀虫剂和高级洗涤剂。
用途用于纤维助剂、化肥抗结块剂、浮选剂等
用途用于制树脂、杀虫剂和高级洗涤剂等。由软脂酸通氨脱水成十六腈,再加压加氢使腈转化而成。
制备方法
生产方法由棕榈脯经还原而得。将3份棕榈脯溶于30份无水乙醇中,慢慢加入金属钠4份进行还原。反应放热,使反应物呈液体状态。当加入的金属钠只能部分溶解时,可加热至60℃,并逐渐升温至120℃,始终使金属钠不全部消失。反应完全后趁热倾入水中,加入稍过量的盐酸,将生成的十六胺盐酸盐结晶滤出,用少量稀盐酸洗涤后压干。将此盐酸用20%氯氧化钠碱化,减压蒸馏,得十六胺。
上下游产品信息
上游原料
下游产品
试剂价格
- H0074 · 5G
- 十六胺Hexadecylamine — 80元
- H0074 · 25G
- 十六胺Hexadecylamine — 150元
供应商50 家
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