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N,N-디메틸도데칸-1-아민

Lauryldimethylamine

HCID 178805709
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
83855-86-1
표준 SMILES
CCCCCCCCCCCCN(C)C
InChIKey
YWFWDNVOPHGWMX-UHFFFAOYSA-N
분자식
C14H31N
평균 분자량
213.4 g/mol

개요

N,n-dimethyldodecylamine 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.

이름 및 식별자

우선 이름
Lauryldimethylamine
IUPAC
N,N-dimethyldodecan-1-amine
현지명
N,N-디메틸도데칸-1-아민
영어명
N,N-dimethyldodecan-1-amine
분자식
C14H31N
분자량
0

이름 및 동의어

N,N-Dimethyldodecylamine112-18-5LauryldimethylamineAntioxidant DDAN,N-DimethyllaurylamineBarlene 125N-DodecyldimethylamineDDA (antioxidant)N-LauryldimethylamineEmpigen ABMonolauryl dimethylamineArmeen DM-12D
이름 더 보기
N,N-디메틸도데칸-1-아민N,N-dimethyldodecan-1-amine
DDA (corrosion inhibitor)Farmin DM 20N,N-DIMETHYL-1-DODECANAMINEGenamin LA 302D1-Dodecanamine, N,N-dimethyl-Dodecylamine, N,N-dimethyl-Farmin DM 2098ADMA 2

데이터베이스 식별자

CAS
83855-86-1
ChEMBL
CHEMBL109737
ChEBI
CHEBI:229425
UNII
6V2OM30I1Z
EC Number
203-943-8
Nikkaji
J27.950A

물성

구조 계산 물성

XLogP
5.9
극성 표면적
3.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
11
무거운 원자 수
15
형식 전하
0
복잡도
110

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
Cosmetics · 3건

Cosmetic ingredients (Dimethyl Lauramine) -> CIR (Cosmetic Ingredient Review)

Hair conditioning; Antistatic

Personal care product -> emollient -> DIMLA: dimethyl lauryl amine

SpringerMaterials PropertiesBoiling point
Color/FormLiquid
DecompositionWhen heated to decomposition it emits toxic fumes of NOx /nitrogen oxides/.
Vapor Pressure0.01 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 3건

N,n-dimethyldodecylamine 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.

Liquid; CBI

Clear yellow liquid with a fishy odor; [CAMEO] Clear colorless liquid; [MSDSonline]

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1.1% (12 of 1116) of reports.

Danger

H302 (98.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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 1116 reports by companies from 27 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 5건

Chemical: 1-Dodecanamine, N,N-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Dodecanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanamine, 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: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14856

Dimethyldodecylamine: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Tertiary aliphatic (C12-22) and fatty amines: Human health tier II assessment
DOT LabelCorrosive
Fire HazardsThe flash point for this chemical is not available. However, it is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards Summary · 1건

Severely irritating to skin and eyes; [SAX] Abnormalities of the heart, lungs, and GI tract observed in animals in oral and dermal lethal-dose studies; [EPA HPVIS] Corrosive to rabbit skin; No specific target organs identified following 28-day gavage study of rats; Does not induce point mutation effects or chromosomal mutations; Parental, fertility, and embryo/fetal/pup toxicity only seen at doses above the NOEL; [SIDSUNEP] A severe skin and eye irritant; [RTECS] Causes burns; Harmful if swallowed; Inhalation can cause corrosive effects to upper respiratory tract and lungs; [Aldrich MSDS]

Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1건

N,N-DIMETHYLDODECYLAMINE 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.

DOT Hazard Classification · 2건

N,N-Dimethyldodecylamine

Severe marine pollutant

Air and Water ReactionsInsoluble in water.
Toxic Combustion ProductsWhen heated to decomposition it emits toxic fumes of NOx /nitrogen oxides/.
Hazard Classes and Categories · 4건

Acute Tox. 4 (98.7%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

Acute toxicity (Oral) - Category 4

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or a Halon extinguisher. (NTP, 1992)
First Aid · 1건

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 · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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 · 1건

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.

Preventive Measures · 1건

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

InteractionsADMIN TO RATS IN DRINKING-WATER WITH & WITHOUT SODIUM NITRITE. DIMETHYLDODECYLAMINE PLUS NITRITE INDUCED TUMORS OF URINARY BLADDER IN 10% OF TREATED RATS.
Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 21,700(SRC), determined from an estimated log Kow of 5.4(2,SRC) and a regression-derived equation(3), indicates that N,N-dimethyl-1-dodecanamine is expected to be immobile in soil(SRC). Volatilization of N,N-dimethyl-1-dodecanamine from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.9X10-3 atm-cu m/mole(SRC), using a fragment constant estimation method(4); however, adsorption may attenuate this process(SRC). N,N-Dimethyl-1-dodecanamine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.016 mm Hg(SRC), determined from a fragment constant method(5). N,N-Dimethyl-1-dodecanamine, present at 100 mg/l, achieved 49.4% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(6).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 21,700(SRC), determined from an estimated log Kow of 5.4(2,SRC) and a regression-derived equation(3), indicates that N,N-dimethyl-1-dodecanamine is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 4.9X10-3 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4); however, adsorption may attenuate this process(SRC). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 hours and 6 days, respectively if adsorption is neglected(SRC). The volatilization half-life from a model pond is about 160 days when adsorption is considered(5). According to a classification scheme(6), an estimated BCF of 310(SRC), from its estimated log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high(SRC). N,N-Dimethyl-1-dodecanamine, present at 100 mg/l, achieved 49.4% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(8).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), N,N-dimethyl-1-dodecanamine, which has an estimated vapor pressure of 0.016 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase N,N-dimethyl-1-dodecanamine 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 4 hours(SRC), calculated from its rate constant of 9.3X10-11 cu cm/molecule-sec at 25 °C(3) determined using a structure estimation method(3).

Adverse EffectsDermatotoxin - Skin burns.
Toxicity SummarySafe 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
Soil Adsorption/Mobility · 1건

The Koc of N,N-dimethyl-1-dodecanamine is estimated as 21,700(SRC), using an estimated log Kow of 5.4(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that N,N-dimethyl-1-dodecanamine is expected to be immobile in soil(SRC).

Human Toxicity Excerpts · 1건

THERMAL DECOMPOSITION OF TOBACCO ANTISUCKERING COMPD, INCL N,N-DIMETHYLDODECANAMINE WAS STUDIED IN RELATION TO POSSIBLE HEALTH HAZARD DURING SMOKING. AMMONIA, HYDROGEN CYANIDE, PHENOL, CRESOLS, BENZO[A]PYRENE, BENZO[E]PYRENE, BENZ[A]ANTHRACENE, CHRYSENE, & 1- & 2-NAPHTHOLS WERE IDENTIFIED AT 850 °C AS PYROLYSIS PRODUCTS OF N,N-DIMETHYLDODECANAMINE.

Artificial Pollution SourcesN,N-Dimethyl-1-dodecanamine's production and use as a corrosion inhibitor, acid-stable emulsifier and intermediate for cationic detergents(1) may result in its release to the environment through various waste streams(SRC).
Environmental Biodegradation · 1건

AEROBIC: N,N-Dimethyl-1-dodecanamine, present at 100 mg/l, achieved 49.4% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(1). N,N-Dimethyl-1-dodecanamine was completely mineralized by pure cultures with dodecanal and dodecanoic acid as intermediates(2).

Environmental Bioconcentration · 1건

An estimated BCF of 310 was calculated for N,N-dimethyl-1-dodecanamine(SRC), using an estimated log Kow of 5.4(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 high(SRC).

Volatilization from Water/Soil · 1건

The Henry's Law constant for N,N-dimethyl-1-dodecanamine is estimated as 4.9X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that N,N-dimethyl-1-dodecanamine is expected to volatilize from water surfaces(2); however, adsorption may attenuate this process(SRC). 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 2 hours if adsorption is neglected(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 6 days if adsorption is neglected(SRC). The volatilization half-life from a model pond is about 164 days when adsorption is considered(3). N,N-Dimethyl-1-dodecanamine's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur; however adsorption may attenuate this process(SRC). N,N-Dimethyl-1-dodecanamine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.016 mm Hg(SRC), determined from a fragment constant method(4).

Non-Human Toxicity ExcerptsMINIMUM DOSE AT WHICH DIMETHYLDODECANAMINE DECREASED BLOOD PRESSURE WHEN ADMIN IV TO DOGS WAS 0.2 TO 0.3 MG/KG. AT HIGHER DOSES, IT DECR THE FREQUENCY OF HEART CONTRACTIONS & DEPRESSED RESP. LETHAL DOSE WAS 40-85 MG/KG.
Environmental Abiotic Degradation · 1건

The rate constant for the vapor-phase reaction of N,N-dimethyl-1-dodecanamine with photochemically-produced hydroxyl radicals has been estimated as 9.3X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 4 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). N,N-Dimethyl-1-dodecanamine is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2) nor to directly photolyze due to the lack of absorption in the environmental portion of the UV spectrum.

화학 및 산업

용도 및 제조

Uses · 6건

CIR ingredient: Dimethyl Lauramine

Used as corrosion inhibitor, acid-stable emulsifier, cationic detergent, and intermediate in chemical synthesis; [HSDB] Commonly found in commercial mixtures with C12-14 alkyldimethylamine (CAS 84649-84-3); Used to make amineoxides, betaines, and quaternary amino compounds with end-uses as disinfectants, detergents, textile chemicals, pharmaceuticals, corrosion inhibitors, etc.; [SIDSUNEP]

Corrosion inhibitor; acid-stable emulsifier; as cationic detergent

USED TO SYNTHESIZE A MICROBIOCIDE FROM REACTION PRODUCT OF CHLOROMETHYLATED CROSS-LINKED POLYSTYRENE

CHEM INT FOR N,N-DIMETHYL-N-DODECANAMINE OXIDE

CHEM INT FOR BENZYL DIMETHYL DODECYL AMMONIUM CHLORIDE

U.S. Production · 3건

2023: 50,000,000 - <100,000,000 lb

(1979) PROBABLY GREATER THAN 6.81X10+6 GRAMS

(1981) PROBABLY GREATER THAN 4.54X10+6 GRAMS

Consumer UsesSurfactant (surface active agent)
Industry UsesAntioxidant
Methods of ManufacturingREACTION OF 1-DODECANOL WITH DIMETHYLAMINE; REACTION OF 1-DODECANAMINE WITH FORMALDEHYDE; REACTION OF COCONUT OIL ALKYL AMINE WITH FORMALDEHYDE OR COCONUT OIL ALCOHOLS WITH DIMETHYLAMINE (PRODUCES A MIXT OF N-ALKYL DIMETHYLAMINES)
Formulations/PreparationsARMEEN /IS/ TRADEMARK FOR SERIES OF HIGH-MOLECULAR-WT ALIPHATIC AMINES...DERIVED FROM COCO, SOYA OR TALLOW FATTY ACIDS. /ARMEEN/
Household ProductsInformation on 1 consumer products that contain Dimethyl Lauramine in the following categories is provided:
Use ClassificationCosmetics -> Hair conditioning; Antistatic
General Manufacturing Information · 3건

All Other Basic Organic Chemical Manufacturing

1-Dodecanamine, N,N-dimethyl-: ACTIVE

APPLICATIONS: N,N-DIMETHYLDODECANAMINE WAS STRONG SUPPRESSOR OF BEETLE BROOD DEVELOPMENT, EVEN AT 50 PPM.

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