基本情報
- 標準SMILES
CCCCCCCCCCCCCCCCCCN(C)C- InChIKey
NAPSCFZYZVSQHF-UHFFFAOYSA-N- 分子式
- C20H43N
- 平均分子量
- 297.6 g/mol
- 単同位体質量
- 297.33955038
概要
N,n-dimethyl-1-octadecanamine appears as a clear yellow liquid with a fishlike 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.
名称と識別子
- 優先名称
- Dimethyloctadecylamine
- IUPAC
- N,N-dimethyloctadecan-1-amine
- 現地名
- N,N-ジメチル-n-オクタデシルアミン
- 英語名
- N,N-Dimethyloctadecylamine
- 分子式
- C20H43N
- 分子量
- 297.56
名称と別名
名称をさらに表示
データベース識別子
- CAS
124-28-7- PubChem CID
- 15365
- DTXSID
DTXSID4027026- ChEMBL
CHEMBL2110847- ChEBI
CHEBI:135258- UNII
- 066975NG22
- EC Number
- 204-694-8
- Nikkaji
- J5.548D
物性
構造計算による物性
- XLogP
- 9.1
- 極性表面積
- 3.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 17
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 177
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Dimethyl Stearamine) -> CIR (Cosmetic Ingredient Review)
Antistatic; Emulsifying; Hair conditioning
Personal care product -> emollient -> DIMLA: dimethyl lauryl amine
Physical Description
N,n-dimethyl-1-octadecanamine appears as a clear yellow liquid with a fishlike 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.
CBI; Liquid; Liquid; Other Solid
mp = 22.89 deg C; [ChemIDplus] Clear yellow liquid with a fishy odor; [CAMEO] Colorless to yellow liquid; Clear or slightly cloudy with a fishy odor; [MSDSonline]
物理化学的性質
- 融点
- 23 °C · 23 °C
- 沸点
- 347 °C · 347 °C
- 比重(密度)
- 0.8 · 0.8
- 蒸気圧
- 0.001 · 0.001-0.038Pa at 20-50℃
- 屈折率
- 1.4461 · 1.4461
- 闪点
- 155 °C · 155 °C
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- クロロホルム(わずかに)、ヘキサン(わずかに)
- 外見
- 融解後の液体
- 酸解離定数(Pka)
- 9.78 · 9.78±0.28(Predicted)
- 色
- 無色透明~黄色
- 水溶解度
- わずかに溶ける
- 化粧品成分の機能
- 界面活性剤 - 乳化剤ヘアコンディショニング帯電防止
- InChIKey
- NAPSCFZYZVSQHF-UHFFFAOYSA-N
- LogP
- 1.3 · 1.3-5.1 at 20℃ and pH7.1-8.8
- 表面張力
- 32.2 mN/m · 32.2mN/m at 1g/L and 25℃
- CAS データベース
- 124 · 124-28-7(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Octadecanamine, n,n-dimethyl-(124-28-7)
- EPAの化学物質情報
- N,N-Dimethyloctadecylamine (124-28-7)
化学的性質
化学的特性N,N-Dimethyloctadecylamine is Solid
安全と法規制
GHS分類
GHS Classification
Danger
H226 (53.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 833 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
危険有害性情報
Regulatory Information
Chemical: 1-Octadecanamine, N,N-dimethyl-
1-Octadecanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octadecanamine, N,N-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14746
Dimethyl stearamine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Emergency treatment: Irritants; [HSDB] Negative for mutagenicity in two strains of Salmonella typhimurium; [EPA HPVIS] Moderately irritating to skin and eyes; [RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis and pulmonary edema; [MSDSonline]
Reactivity Profile
N,N-DIMETHYL-1-OCTADECANAMINE 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
Flam. Liq. 3 (53.9%)
Acute toxicity - category 4
Skin corrosion/irritation - Category 1
安全と保護具
毒性情報
安全データ
- tsca
- TSCA listed
- rtecs
- RG4200000
- ridadr
- 2735
- 毒性
- mouse,LD50,intraperitoneal,315mg/kg (315mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 517, 1991.
- hs_code
- 29211999
- risk_code
- 34-22
- 化審法
- (2)-176, (2)-185
- hazard_code
- C
- safety_code
- 45-36/37/39-26
- hazard_class
- 8
- packing_group
- III
- 環境リスク評価
- N,N-ジメチルオクタデシルアミン(124-28-7)
- 有毒物質データの
- 124-28-7(Hazardous Substances Data)
化学と産業
用途と製造
Uses
CIR ingredient: Dimethyl Stearamine
Used as chemical intermediate and corrosion inhibitor for condensing systems; [HSDB]
CHEM INT FOR N,N-DIMETHYL-N-OCTADECYLAMINE OXIDE-AS MIXT
CHEM INT FOR BENZYL DIMETHYL OCTADECYL AMMONIUM CHLORIDE
FILMING AMINE CORROSION INHIBITOR FOR CONDENSING SYSTEMS
ANTHELMINTIC AGENT (HYDROCHLORIDE SALT)
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 1,000,000 - <2,500,000 lb
(1979) 5.62X10+8 GRAMS
(1981) PROBABLY GREATER THAN 9.08X10+6 GRAMS
Methods of Manufacturing
...FROM OCTADECYLAMINE AND FORMALDEHYDE: RECK ET AL, J ORG CHEM 12: 517 (1947).
REACTION OF 1-OCTADECANOL WITH N,N-DIMETHYLAMINE; HYDROGENATION OF 9-OCTADECENENITRILE FOLLOWED BY REACTION WITH FORMALDEHYDE; REDUCTION OF N,N-DIMETHYL-N-OCTADECYLAMIDE
General Manufacturing Information
CBI
1-Octadecanamine, N,N-dimethyl-: ACTIVE
HAS BEEN PROPOSED AS AN ANTHELMINTIC.
N,N-DIMETHYLOCTADECANAMINE PROVIDED ONLY MARGINAL CONTROL WHEN USED AS EAR WASH FOR RABBITS INFESTED WITH PSOROPTES CUNICULI.
OCTADECYLDIMETHYLAMINE WAS USED IN A COMPOSITION WHICH PREVENTED GROWTH OF BIOLOGICAL MATTER ON A FISHING NET.
OF 35 MICE INFECTED EXPERIMENTALLY WITH HYMENOLEPIS NANA EGGS, 15 WERE TREATED WITH 5% GUM ARABIC SUSPENSION OF THELMESAN @ ONE FIFTH THE LD50. AT AUTOPSY, THE 13 ANIMALS WHO SURVIVED THE TREATMENT DID NOT HAVE ANY WORMS IN THEIR GUT.
応用分野
用途製造中間原料
使用N,N-Dimethyloctadecylamine is used as chemical intermediates for the manufacture of quaternary ammonium compounds, amine oxide and betaine surfactants
一般的な説明N,N-Dimethyloctadecylamine is a clear yellow liquid with a fishlike 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.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義本品は、次の化学式で表される脂肪族第三アミンである。
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