基本情報
- 標準SMILES
CCCCCCCCCCCCCCCCN- InChIKey
FJLUATLTXUNBOT-UHFFFAOYSA-N- 分子式
- C16H35N
- 平均分子量
- 241.46 g/mol
- 単同位体質量
- 241.27695012
概要
Hexadecylamine is a white solid. (NTP, 1992)
名称と識別子
- 優先名称
- Hexadecylamine
- IUPAC
- hexadecan-1-amine
- 現地名
- ヘキサデシルアミン
- 英語名
- 1-Hexadecylamine
- 分子式
- C16H35N
- 分子量
- 241.46
名称と別名
名称をさらに表示
データベース識別子
- 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
物性
構造計算による物性
- XLogP
- 7.4
- 極性表面積
- 26 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 14
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 123
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 43 · 43-45 °C (lit.)
- 沸点
- 330 °C · 330 °C (lit.)
- 比重(密度)
- 0 · 0,813 g/cm3
- 蒸気圧
- 1 mm · <1 mm Hg ( 20 °C)
- 屈折率
- 1.4496 · 1.4496
- 闪点
- 285 °F · 285 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 酸解離定数(Pka)
- 10.63 · 10.63(at 25℃)
- 外見
- 低融点結晶塊または塊
- 色
- 白い
- 水溶解度
- 不溶性
- BRN
- 1634065 · 1634065
- 化粧品成分の機能
- 帯電防止
- 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 データベース
- 143 · 143-27-1(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Hexadecanamine(143-27-1)
- EPAの化学物質情報
- Hexadecylamine (143-27-1)
化学的性質
化学的特性white low melting crystalline mass or chunks
安全と法規制
GHS分類
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]
危険有害性情報
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
安全と保護具
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]
毒性情報
安全データ
- F
- 34
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- ML9100000
- ridadr
- UN 3259 8/PG 2
- 毒性
- mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD691-490,
- hs_code
- 29211980
- risk_code
- 34
- 化審法
- (2)-133, (2)-176, (2)-185 優先評価化学物質
- hazard_code
- C,Hazard
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Eye Dam. 1Skin Corr. 1ASTOT RE 2
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
化学と産業
用途と製造
応用分野
用途乳化剤、浸透湿潤剤、分散剤、浮遊選鉱剤、陽イオン活性剤、防水剤の原料
使用1-Hexadecylamine is used for producing resin, senior detergent, anti-caking agent.
一般的な説明A white waxy solid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
調製方法
純化方法Crystallise the base from thiophene-free *benzene and dry under vacuum over P2O5. Store away from CO2 [Beilstein 4 IV 818.]
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
関連反応
関連ノート
読み込み中…