结构:CCCCCCCCCCCCCCCCN(C)C
HCID16221

Dimethylhexadecylamine

N,N-dimethylhexadecan-1-amine

C18H39N269.5 g/molCAS 112-69-6

IDENTITY

结构与身份

标准 SMILES
CCCCCCCCCCCCCCCCN(C)C
InChIKey
NHLUVTZJQOJKCC-UHFFFAOYSA-N
分子式
C18H39N
平均分子量
269.5 g/mol
单同位素质量
269.30825025

COMPUTED

结构计算性质

已同步
XLogP
8
极性表面积
3.2 Ų
氢键供体
0
氢键受体
1
可旋转键
15
重原子
19
形式电荷
0
复杂度
154

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

Dimethyl hexadecanamine appears as a clear yellow colored 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.

Liquid

Clear yellow liquid with a fishy odor; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index

1894

GHS

GHS 分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 0.5% (4 of 771) of reports.

Danger

H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (99.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (26.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H400 (88.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (23%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 771 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 771 reports by companies.;There are 22 notifications provided by 767 of 771 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: 1-Hexadecanamine, N,N-dimethyl-

1-Hexadecanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanamine, 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: 25-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14932

1-Hexadecanamine, N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information

IMAP assessments - Tertiary aliphatic (C12-22) and fatty amines: Human health tier II assessment

DOT Label

Corrosive

Fire Hazards

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2024)

Health Hazards

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death. Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears). Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)

Hazards Summary

Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS]

Reactive Group

Amines, Phosphines, and Pyridines

Reactivity Profile

DIMETHYL HEXADECANAMINE 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.

Air and Water Reactions

Insoluble in water.

Hazard Classes and Categories

Acute Tox. 4 (88.2%);Skin Corr. 1B (99.2%);Eye Dam. 1 (26.3%);Aquatic Acute 1 (88.1%);Aquatic Chronic 1 (23%)

Acute toxicity - category 4;Skin corrosion - category 1B;Specific target organ toxicity (single exposure) - category 3

SAFETY

安全与防护

来源:PubChem
Fire Fighting

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;SMALL FIRE: Dry chemical, CO2 or water spray.;LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)

First Aid

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. Removal of solidified molten material from skin requires medical assistance. (ERG, 2024)

Nonfire Spill Response

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)

Isolation and Evacuation

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE)

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)

TOXICITY

毒理信息

来源:PubChem
Adverse Effects

Dermatotoxin - Skin burns.

Toxicity Summary

Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: 1-Hexadecanamine, N,N-dimethyl-

1-Hexadecanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanamine, 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: 25-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14932

1-Hexadecanamine, N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源:PubChem
Uses

CIR ingredient: Dimethyl Palmitamine

Used in chemical manufacture; [CAMEO] Used as a catalyst, laboratory reagent, and to make other products (detergents, hydraulic fluids, lubricants-greases, metalworking fluids, polymers, and heat transfer fluids); [ExPub: ECHA REACH Registrations] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]

Metal Machining [Category: Heat or Machine]

U.S. Production

2023: 7,000,000 - <8,500,000 lb;2022: 10,000,000 - <25,000,000 lb;2021: 10,000,000 - <25,000,000 lb;2020: 10,000,000 - <25,000,000 lb

Consumer Uses

Surfactant (surface active agent)

Industry Uses

Surfactant (surface active agent);Corrosion inhibitor;Not Known or Reasonably Ascertainable;Intermediate

Use Classification

Cosmetics -> Antistatic; Hair conditioning; Emulsifying

General Manufacturing Information

Oil and Gas Drilling, Extraction, and Support activities;Soap, Cleaning Compound, and Toilet Preparation Manufacturing;Wholesale and Retail Trade;All Other Basic Organic Chemical Manufacturing

1-Hexadecanamine, N,N-dimethyl-: ACTIVE

ALIASES

名称与别名

87
Hexadecyldimethylamine112-69-6N,N-dimethylhexadecan-1-amineCetyldimethylamineDimethyl palmitamineDimethylhexadecylaminePalmityl dimethyl amine1-HEXADECANAMINE, N,N-DIMETHYL-DimethylpalmitylaminePalmityldimethylamineArmeen DM16DFarmin DM 60Genamin 16R302DBairdcat B16IPL 67Dimethyl palmitylamine5E4QI660PWNSC-404177DMHDA compoundRefChem:145988

REACTIONS

参与反应

18
HRID310551

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 310551 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID673166

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 673166 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID678706

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 678706 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看条件与参与物