基本情報
- 標準SMILES
CCCCCCCCCCCCCCCCCCN- InChIKey
REYJJPSVUYRZGE-UHFFFAOYSA-N- 分子式
- C18H39N
- 平均分子量
- 269.5 g/mol
- 単同位体質量
- 269.30825025
概要
Octadecylamine appears as a white solid. 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. Used to make other chemicals.
名称と識別子
- 優先名称
- Octadecylamine
- IUPAC
- octadecan-1-amine
- 現地名
- ステアリルアミン
- 英語名
- Octadecanamine
- 分子式
- C18H39N
- 分子量
- 269.51
名称と別名
名称をさらに表示
データベース識別子
- CAS
124-30-1、61788-45-2- PubChem CID
- 15793
- DTXSID
DTXSID1025801- ChEMBL
CHEMBL55860- ChEBI
CHEBI:63866- UNII
- FFV58UNY7O
- EC Number
- 204-695-3
- Nikkaji
- J10.159A
物性
構造計算による物性
- XLogP
- 8.5
- 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
- 16
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 145
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Stearamine) -> CIR (Cosmetic Ingredient Review)
Personal care product
Antistatic
Density
0.8618 at 68 °F (NTP, 1992) - Less dense than water; will float
0.8618 @ 20 °C/4 °C
0.86 g/cm³
Solubility
less than 1 mg/mL at 72 °F (NTP, 1992)
Insol in water; sol in alcohol, ether, benzene; very sol in chloroform; miscible in acetone
Solubility in water: very poor
Flash Point
300 °F (NTP, 1992)
148 °C c.c.
Boiling Point
660 °F at 760 mmHg (NTP, 1992)
346.8 °C @ 760 mm Hg
346.8 °C
Melting Point
120 to 126 °F (NTP, 1992)
52.9 °C
49 - 52 °C
52.9 °C
物理化学的性質
- 融点
- 50 · 50-52 °C(lit.)
- 沸点
- 232 °C32 · 232 °C32 mm Hg(lit.)
- 比重(密度)
- 0.862 · 0.862
- 蒸気圧
- 10 mm · 10 mm Hg ( 72 °C)
- 屈折率
- 1.4522 · 1.4522
- 闪点
- 300 °F · 300 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 外見
- プリル
- 酸解離定数(Pka)
- 10.6 · 10.6(at 25℃)
- 色
- 白い
- 水溶解度
- 実質的に不溶
- 凝固点
- 53.1 ℃ · 53.1℃
- BRN
- 636111 · 636111
- Henry's Law Constant
- 1 · 1.0×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
- 化粧品成分の機能
- 帯電防止
- InChI
- 1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
- InChIKey
- REYJJPSVUYRZGE-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCCN
- LogP
- 4.33 at · 4.33 at 25℃
- CAS データベース
- 124 · 124-30-1(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Octadecanamine(124-30-1)
- EPAの化学物質情報
- Stearamine (124-30-1)
化学的性質
化学的特性White prills
安全と法規制
GHS分類
GHS Classification
Danger
H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P260, P264, P264+P265, P273, P280, P301+P316, P302+P352, P305+P354+P338, P317, P319, P321, P331, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.8% (7 of 907) of reports.
Danger
H302 (49.3%): Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Regulatory Information
Chemical: 1-Octadecanamine
1-Octadecanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octadecanamine 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: 12-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14418
1-Octadecanamine: HSNO Approval: HSR001542 Approved with controls
Fire Hazards
This compound is combustible. (NTP, 1992)
Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Hazards Summary
A skin, eye, and respiratory tract irritant; [ICSC] May cause skin sensitization; A primary skin irritant in animals; A 2-year feeding study of rats showed no adverse effects to food consumption, hematology, or histopathology at 500 ppm; Effects at 3000 ppm include anorexia and some histological changes to GI tract, mesenteric nodes, and liver; [HSDB] A moderate skin irritant in rabbits; [RTECS] A skin irritant that may cause serious eye injury; Not likely to induce skin sensitization; No evidence of mutagenicity; Not likely to have carcinogenic potential or reproductive toxicity; [ECHA] An irritant; Harmful if swallowed; [Alfa Aesar MSDS]
Reactivity Profile
OCTADECYLAMINE 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
Acute Tox. 4 (49.3%)
Aspiration hazard - category 1
Skin corrosion/irritation - Category 2
Serious eye damage/eye irritation - Category 1
Asp. Tox. 1
安全と保護具
Fire Fighting
Fires involving this compound can be controlled with dry chemical, carbon dioxide or Halon extinguishers. (NTP, 1992)
Use water spray, powder, foam, carbon dioxide.
First Aid Measures
Fresh air, rest.
Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give one or two glasses of water to drink.
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: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Spillage Disposal
Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations.
毒性情報
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated log Koc value of 5.5(SRC), determined from an estimated log Kow of 7.7(2,SRC) and a regression-derived equation(3), indicates that octadecylamine is expected to be immobile in soil(SRC). A pKa value of 10.65(4) indicates that the protonated form will be the dominant species in moist soil surfaces and cationic molecules generally adsorb strongly to soils(SRC). Volatilization of octadecylamine from moist soil surfaces is not expected to be an important fate process since the protonated form is expected to be the dominant species based on the pKa value(4). Volatilization of octadecylamine from dry soil surfaces is not expected(SRC) based upon the estimated vapor pressure of 4.4X10-5 mm Hg at 25 °C(5). A 32% of theoretical BOD in an activated sludge inoculum was observed over a 15-day incubation period(6), suggesting that biodegradation may be rapid in the environment(SRC).
AQUATIC FATE: Based on a classification scheme(1), an estimated log Koc value of 5.5(SRC), determined from an estimated log Kow of 7.7(2,SRC) and a regression-derived equation(3), indicates that octadecylamine is expected to adsorb to suspended solids and sediment in water(SRC). A pKa value of 10.65(4) indicates that the protonated form will be the dominant species in water and volatilization from water surfaces is not expected to be an important fate process(SRC). According to a classification scheme(5), an estimated log BCF of 5.6(3,SRC), from its estimated log Kow(2,SRC), suggests the potential for bioconcentration in aquatic organisms is very high(SRC). A 32% of theoretical BOD in an activated sludge inoculum was observed over a 15-day incubation period(6), suggesting that biodegradation may be rapid in the environment(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), octadecylamine, which has an estimated vapor pressure of 4.4X10-5 mm Hg at 25 °C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase octadecylamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 10 hours(SRC) from its estimated rate constant of 3.4X10-11 cu cm/molecule-sec at 25 °C(SRC), determined from a structure estimation method(3). Particulate-phase octadecylamine will be removed from the atmosphere by wet and dry depostion(SRC).
Toxicity Summary
The safety of Lauramine and Stearamine has not been documented and substantiated. The CIR Expert Panel cannot conclude whether these ingredients are safe for use in cosmetic products until the appropriate safety data have been obtained and evaluated.
The available data are insufficient to support safety
Signs and Symptoms
Cough. Sore throat.
Redness. Pain.
Redness. Pain.
Soil Adsorption/Mobility
The Koc of octadecylamine is estimated as approximately 3.198X10+5(SRC), using an estimated log Kow of 7.7(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that octadecylamine is expected to be immobile in soil(SRC).
Human Toxicity Excerpts
SAID TO BE PRIMARY SKIN SENSITIZER.
The effects of non-drug-containing liposomes of different compositions and sizes on the proliferation of nine cancer-derived and one normal cultured human cell lines were determined. Stearylamine- and cardiolipin-containing liposomes were toxic (ID50) at 200 uM liposomal lipid concentrations or less ...
Environmental Bioconcentration
An estimated log BCF of 5.6 was calculated for octadecylamine(SRC), using an estimated log Kow of 7.7(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/Soil
The Henry's Law constant for octadecylamine is estimated as 9.4X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(1). This Henry's Law constant indicates that the neutral form of octadecylamine is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as approximately 6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as approximately 167 hours(SRC). A pKa of 10.65(3) indicates octadecylamine will exist predominately in the protonated form at environmental pHs and therefore volatilization from water and moist soil surfaces is not expected to be an important fate process(SRC). Octadecylamine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.4X10-5 mm Hg at 25 °C(4).
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RG4150000
- ridadr
- 3259
- 毒性
- LD50 orally in Rabbit: 2395 mg/kg
- hs_code
- 29211980
- risk_code
- 36/37/38-41-38-65-50/53-48/22
- 化審法
- (2)-133, (2)-176, (2)-185 優先評価化学物質
- hazard_code
- Xi,N,Xn
- safety_code
- 26-36-37/39-28B-62-61-60-36/37/39
- hazard_class
- 8
- packing_group
- III
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Eye Dam. 1Skin Irrit. 2STOT RE 2
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 124-30-1(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
Uses
CIR ingredient: Stearamine
Used as a corrosion inhibitor (steam systems), mold releasing agent (manufacturing of battery cases), anti-caking and flotation agent, anti-stripping agent (asphalt emulsions for highways), and chemical intermediate; Also used for various applications in the petroleum industry; [HSDB] Used for metal extraction, refining, and processing of metals; [IUCLID]
Petroleum Production and Refining [Category: Industry]
ANTICORROSIVE AGENT
MOLD RELEASE AGENT IN MFR OF BATTERY CASES; CORROSION INHIBITOR IN STEAM PLANTS; CHEMICAL INTERMEDIATE FOR OCTADECYL ISOCYANATE; CHEMICAL INTERMEDIATE FOR OTHER SURFACE-ACTIVE AGENTS; ANTICAKING AGENT; FLOTATION AGENT; AGENT IN VARIOUS ASPECTS OF PETROLEUM INDUSTRY; ANTISTRIPPING AGENT IN ASPHALT EMULSIONS FOR HIGHWAYS
Surface protection against condensate corrosion in steam systems.
U.S. Production
2023: 550,000 - <1,000,000 lb
(1972) 2.46X10+8 GRAMS
(1975) PROBABLY GREATER THAN 1.36X10+6 GRAMS
(1984) 1.11X10+9 g
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1-Octadecanamine: ACTIVE
EIGHTEEN CARBON STRAIGHT CHAIN AMINE SOMETIMES USED AS ANTICORROSIVE AGENT IN LIVE STEAM LINES.
応用分野
用途乳化剤、浸潤剤、分散剤、浮遊選鉱剤、陽イオン活性剤の製造、防水剤の原料。
用途界面活性剤原料
使用Octadecylamine is used in biological studies for the formation of ion pairing as alternative to improve encapsulation and stability and to reduce skin irritation of retinoic acid loaded in solid lipid nanoparticles.
一般的な説明A white solid. 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. Used to make other chemicals.
調製方法
Octadecylamine is manufactured under the trade names of Adogen 142D (Ashland), Alamine 7D (General Mills), Armeen 18D (Armak), Kemamine P- 990D (Humko), and Jetamine 18D (Jetco).
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アミンである。
定義ChEBI: An 18-carbon primary aliphatic amine.
関連反応
関連ノート
読み込み中…