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LAUR아미드 데A

Lauric acid diethanolamide

HCID 8430
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
120-40-1
표준 SMILES
CCCCCCCCCCCC(=O)N(CCO)CCO
InChIKey
AOMUHOFOVNGZAN-UHFFFAOYSA-N
분자식
C16H33NO3
평균 분자량
287.44 g/mol
단동위원소 질량
287.24604391

개요

Lauric acid diethanolamine condensate (1/1) is an off-white waxy solid. (NTP, 1992)

이름 및 식별자

우선 이름
Lauric acid diethanolamide
IUPAC
N,N-bis(2-hydroxyethyl)dodecanamide
현지명
LAUR아미드 데A
영어명
Lauric acid diethanolamide
분자식
C16H33NO3
분자량
287.44

이름 및 동의어

N,N-Bis(2-hydroxyethyl)dodecanamide120-40-1Lauric diethanolamideLauramide DEALauryl diethanolamideLauric acid diethanolamideAlkamide LEStandamidd ldComperlan LDCondensate PLMackamide LLDiethanollauramide
이름 더 보기
N,N-비스(2-히드록시에틸)도데칸아미드LAUR아마이드데ALAUR아미드데ALAUR아마이드데A라우라마이드디이에이라우릭산디에탄올아미드CRMLDEALAUROYL DIETHANOLAMIDEldeLaurinsurediethanolamidDodecanamide, N,N-bis(2-hydroxyethyl)-AC 1000
Hetamide MLMackamide LLMEmpilan LDEEthylan MLDLauroyldiethanolamineClindrol 100LRolamid cdLankrostat JP

데이터베이스 식별자

CAS
120-40-1、72968-36-6
PubChem CID
8430
DTXSID
DTXSID5025491
ChEMBL
CHEMBL1996872

물성

구조 계산 물성

XLogP
3.5
극성 표면적
60.8 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
14
무거운 원자 수
20
형식 전하
0
복잡도
216

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl ethanolamines (endocannabinoids) [FA0804]
Polymers · 2건

Plastics -> N.a.

Plastics -> Antistatic

Cosmetics · 2건

Cosmetic ingredients (Lauramide DEA) -> CIR (Cosmetic Ingredient Review)

Foam boosting; Antistatic; Surfactant; Viscosity controlling

pHpH = 9-11 (1% solution)
Surfactants · 2건

Surfactant -> linear alkylbenzyl sulfonate (LAS)

Surfactant

Food AdditivesWASHING OR SURFACE REMOVAL AGENT -> FDA Substance added to food
DensityApproximately 8.1 lb/gal
Color/Form · 2건

Wax

Amber liquid

Solubility · 2건

less than 1 mg/mL at 75 °F (NTP, 1992)

Sol in lower alcohols, propylene glycol, polyethylene glycols, insoluble in water.

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H315 (45.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 809 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 5건

Chemical: Dodecanamide, N,N-bis(2-hydroxyethyl)-

Regulation (EC) No 1935/2004 (amended)

Dodecanamide, N,N-bis(2-hydroxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanamide, N,N-bis(2-hydroxyethyl)- 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)

REACH registered substance: N,N-bis(2-hydroxyethyl)dodecanamide (EC: 204-393-1)

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

Fire HazardsFlash point data for this compound are unavailable, however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Exposure to this compound causes local irritation.
Hazards Summary · 1건

Can be absorbed through skin; Causes sheep erythrocyte hemolysis (about 50% hemolysis when erythrocytes administered 200 ppm); Reduced hemoglobin observed in 90-day feeding study of rats; No evidence of mutagenicity; Emergency treatment: Detergents and soaps- anionic and nonionic; [HSDB] A local irritant; [CAMEO] No evidence of carcinogenicity in rats or male mice, but some evidence in female mice; Induces sister chromatid exchanges in Chinese hamster ovary cells (all other tests for genetic toxicity negative); [NTP] No reproductive effects reported in rats (oral and dermal routes) or rabbits (oral administration); [REPROTOX] Oral LD50 (rat) ~ 3,500 mg/kg; Skin lesions and increased relative kidney and liver weights observed in 14-week dermal study of mice; No effects observed to male or female reproductive parameters; [EPA HPV] A skin and eye irritant; [Akzo Nobel MSDS]

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Uses · 5건

CIR ingredient: Lauramide DEA

Used as a foam stabilizer for liquid household detergents and shampoos; [HSDB] Used as an antistatic additive; [Akzo Nobel MSDS]

FOAM STABILIZER FOR LIQUID HOUSEHOLD DETERGENTS

FOAM STABILIZER FOR SHAMPOOS

MEDICATION

U.S. Exports · 2건

(1979) No Data

(1981) No Data

U.S. Imports · 2건

(1979) No Data

(1981) No Data

U.S. Production · 3건

2023: 550,000 - <700,000 lb

(1979) 3.85X10+9 GRAMS

(1981) 1.67X10+9 GRAMS

Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
Methods of ManufacturingREACTION OF EITHER METHYL DODECANOATE (IN THE PRESENCE OF AN ALKALI METAL CATALYST) OR LAURIC ACID WITH DIETHANOLAMINE IN A 1:1 MOLAR RATIO
Formulations/Preparations · 5건

MONAMIDS /IS/ TRADEMARK FOR GROUP OF DIALKYLOLAMIDES WHICH INCL VARIOUS GRADES OF COCONUT FATTY ACID MONOETHANOLAMIDE, COCONUT FATTY ACID MONOPROPANOLAMIDE, LAURIC ACID MONOETHANOLAMIDE, LAURIC ACID MONOISOPROPANOLAMIDE, & STEARIC ACID MONOETHANOLAMIDE. /MONAMIDS/

STEPAN /IS/ TRADEMARK FOR SERIES OF DETERGENT & DETERGENT INTERMEDIATES, INCL LAURYL SULFATES, ALKYLOLAMIDES, FATTY ALCOHOL ETHER SULFATES, LINEAR ALKYLATE SULFONATES & ETHOXYLATED NONIONICS. /STEPAN/

SUPER-AMIDE /IS/ TRADEMARK FOR HIGH-ACTIVITY FATTY ACID DIETHANOLAMINES. USED AS FOAM STABILIZERS, EMULSIFIERS, THICKENERS. /SUPER-AMIDE/

관련 반응

2건
반응 기록 만들기
HRID 328426 반응식
HRID 328426반응물로uspto-grants-1977_04
HRID 328427 반응식
HRID 328427반응물로uspto-grants-1977_04

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEBI
CHEBI:143726
UNII
I29I2VHG38
EC Number
204-393-1
Nikkaji
J36.818K
Boiling Point462 to 471 °F at 760 mmHg (NTP, 1992)
Melting Point · 4건

108 to 117 °F (NTP, 1992)

38.7 °C

38.00 to 39.00 °C. @ 760.00 mm Hg

36.7 °C

물리화학적 성질

녹는점
45 · 45-48℃
끓는 점
429.73 °C · 429.73°C (rough estimate)
밀도
0.961 · 0.9610 (rough estimate)
증기압
0.002 Pa · 0.002Pa at 20℃
굴절률
1.4545 · 1.4545 (estimate)
저장 조건
-20 °C · -20°C Freezer
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
14.13 · 14.13±0.10(Predicted)
색상
흰색에서 황백색까지
수용성
49.91 mg/L · 49.91mg/L at 20℃
Henry's Law Constant
4.6 · 4.6×106 mol/(m3Pa) at 25℃, HSDB (2015)
화장품 원료 기능
대전방지제점도 조절계면활성제 - 거품 증진제계면활성제 - 세정
InChI
1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3
InChIKey
AOMUHOFOVNGZAN-UHFFFAOYSA-N
SMILES
N(CCO)(CCO)C(=O)CCCCCCCCCCC
LogP
3.48 · 3.48
EPA
Lauric diethanolamide (120-40-1)
Reactive GroupAlcohols and Polyols
Special Reports · 1건

Toxicology & Carcinogenesis Studies of Lauric Acid Diethanolamine Condensate in F344/N Rats and B6C3F1 Mice. Technical Report Series No. 480 (1999) NIH Publication No. 99-3970 U.S. Department of Health and Human Services, National Toxicology Program, National Institute of Environmental Health Sciences, Research Triangle Park, NC 27709

Reactivity Profile · 1건

An alcohol and amide. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (45.4%)

안전 및 보호

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or 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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol 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 60-70% ethanol 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 · 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.

Protective Action Criteria (PAC) · 3건

8.1 [mg/m3]

89 [mg/m3]

530 [mg/m3]

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

Environmental Fate · 3건

TERRESTRIAL FATE: When dissolved in aqueous solutions, N,N-di(2-hydroxyethyl)lauramide will have soil mobility ranging from medium to high(3) based on estimated Koc values ranging from 52 to 221(1,2).

AQUATIC FATE: N,N-Di(2-hydroxyethyl)lauramide is essentially nonvolatile from water based upon an estimated Henry's Law constant of 2.16X10-12 atm cu m/mol(1,2,SRC). In natural river water, 98% of N,N-di(2-hydroxyethyl)lauramide was biodegraded in 6 days (20 mg/l)(3). Aquatic bioconcentration and adsorption to sediment are not expected to be important fate processes(SRC).

ATMOSPHERIC FATE: Based on an estimated vapor pressure of approximately 6.7X10-9 mm Hg at 25 °C(1), N,N-di(2- hydroxyethyl)lauramide will exist primarily in the particulate phase in the ambient atmosphere(2). In the vapor phase, it will degrade in the ambient atmosphere by reaction with photochemically produced hydroxyl radicals with an estimated half-life of 8 hrs(3). Physical removal of particulate N,N-di(2- hydroxyethyl)lauramide from air is likely to occur through wet and dry deposition(SRC).

Toxicity Summary · 2건

The CIR Expert Panel concluded that the following 33 diethanolamides are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating and when the levels of free diethanolamine in the diethanolamides do not exceed the present practices of use and concentration of diethanolamine itself. The Expert Panel cautions that ingredients should not be used in cosmetic products in which N-nitroso compounds can be formed...Lauramide DEA...

Safe for use in cosmetics, with qualifications

Animal ConcentrationsCommercial blue mussels collected near Holbaek, Denmark contained 0.5% N,N-di(2-hydroxyethyl)lauramide(1).
Ongoing Test Status · 1건

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=120-40-1]

Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indexes, the Koc for N,N-di(2-hydroxyethyl)lauramide can be estimated to be about 52(1). The Koc for N,N-di(2-hydroxyethyl)lauramide can be estimated to be about 221 based on an estimated water solubility of 226 mg/L(2) and a regression derived equation(2). According to a suggested classification scheme(3), these estimated Koc values suggest that N,N-di(2-hydroxyethyl)lauramide soil mobility is medium to high(SRC).

Artificial Pollution SourcesN,N-Di(2- hydroxyethyl)lauramide's use as a foam stabilizer and detergent(1) could result in its release to the environment through various waste streams(SRC).
Environmental Biodegradation · 1건

N,N-Di(2-hydroxyethyl)lauramide degraded 98% in 6 days in natural river water (20 mg/l)(1). Using four different test methods, N,N-di(2-hydroxyethyl)lauramide degraded 90% (5 mg/l and 19 days), 92% (30 mg/l and 8 days), 93% (10 mg/l and 21 days), and 95% (20 mg/l and 23 hrs), respectively(1).

Carcinogen Classification · 6건

Lauric Acid Diethanolamine Condensate

TR-480: Toxicology and Carcinogenesis Studies of Lauric Acid Diethanolamine Condensate (CASRN 120-40-1) in F344/N Rats and B6C3F1 Mice (Dermal Studies) (1999 )

12/10/97

No Evidence

No Evidence

No Evidence

Environmental Bioconcentration · 1건

Based upon an estimated water solubility of 226 mg/l(1), the BCF of N,N-di(2-hydroxyethyl)lauramide can be estimated to be approximately 29 from a regression-derived equation(1). Based on this BCF value, bioconcentration is not expected to be an important fate process(SRC).

Volatilization from Water/Soil · 1건

The Henry's Law constant for N,N-di(2- hydroxyethyl)lauramide can be estimated to be 2.16X10-12 atm-cu m/mole using a structure estimation method(1). This value of Henry's Law constant indicates that N,N-di(2- hydroxyethyl)lauramide is essentially nonvolatile from water(2).

Non-Human Toxicity Excerpts · 4건

LAURIC ACID DIETHANOLAMIDE AT 5 PPM CAUSED 50% INHIBITION OF SEA URCHIN EGG FERTILITY & ALSO CAUSED SHEEP ERYTHROCYTE HEMOLYSIS. APPROX 50% HEMOLYSIS WAS OBSERVED WHEN ERYTHROCYTES WERE TREATED WITH 200 PPM.

DIETARY LEVELS OF LDE AT 0.1, 0.5 & 2.0 FOR 90 DAYS DID NOT EVOKE ANY ADVERSE APPEARANCE OR CONDITION OF RATS. TERMINAL HEMATOLOGICAL EXAMINATION SHOWED REDUCTION IN HEMOGLOBIN LEVEL, HEMATOCRIT & RED CELL COUNT AT 1 & 2 LEVELS IN FEMALES BUT LESS PRONOUNCED IN MALES. SERUM LEVELS OF GLUTAMIC-OXALACETIC TRANSAMINASE WERE ELEVATED AT 0.5 & ABOVE IN FEMALES BUT ONLY AT 0.5 IN MALES. RELATIVE KIDNEY WT WAS INCR IN ALL TEST GROUPS EXCEPT AT 0.1 IN FEMALES & AT 0.1 & 0.5 IN MALES. RELATIVE LIVER WT INCR IN FEMALES AT 2 HIGHEST LEVELS. NO-EFFECT LEVEL WAS 0.1, AN EQUIVALENT OF 50 MG/KG/DAY FOR 90 DAYS.

NONMUTAGENIC IN SALMONELLA TYPHIMURIUM STRAINS TA100 & TA98 WHEN STUDIED BY AMES TEST AT 10, 50, 100, 200 & 1000 UG/PLATE; ALSO NONCARCINOGENIC (NO CELLS TRANSFORMED) WHEN ADMIN AT 0.1, 0.5, 1, 5 & 10 UG/ML TO CELL CULTURE 7708 PREPARED FROM PREGNANT SYRIAN GOLDEN HAMSTERS WHICH WERE KILLED ON DAY 13 & 14 OF GESTATION.

... CONCLUSIONS: Under the conditions of these 2 yr dermal studies, there was no evidence of carcinogenic activity of lauric acid diethanolamine condensate in male or female F344/N rats admin 50 or 100 mg/kg or in male B6C3F1 mice admin 100 or 200 mg/kg. There was some evidence of carcinogenicity in female B6C3F1 mice based on incr incidences of hepatocellular neoplasms. ...

Environmental Abiotic Degradation · 1건

The rate constant for the vapor-phase reaction of N,N-di(2- hydroxyethyl)lauramide with photochemically produced hydroxyl radicals has been estimated to be approximately 48.1X10-12 cu cm/molecule-sec at 25 °C which corresponds to an atmospheric half-life of about 8 hours at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1,SRC).

안전 데이터

wgk
WGK 2
tsca
TSCA listed
독성
LD50 oral in rat: 2700mg/kg
risk_code
36/38
hazard_code
Xi
safety_code
26
기존화학 물질
KE-03194
Hazard Classifications
Aquatic Chronic 2Eye Dam. 1Skin Irrit. 2
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
120-40-1(Hazardous Substances Data)

SYNOTOL /IS/ TRADEMARK FOR SERIES OF ALKANOLAMIDES OF FATTY ACIDS. USED AS FOAM BUILDERS, VISCOSITY IMPROVERS, WETTING AGENTS, DETERGENTS, & OPACIFIERS. /SYNOTOL/

As a paste, 6% free amine; as a liquid or wax, 5% free amine.

Household Products · 2건

Cosmetics product ingredient: Lauramide diethanolamine

Information on 88 consumer products that contain Coco diethanolamide in the following categories is provided:

Use Classification · 3건

Plastics -> Polymer Type -> N.a.

Plastics -> Antistatic

Cosmetics -> Foam boosting; Antistatic; Surfactant; Viscosity controlling

General Manufacturing Information · 2건

Wholesale and Retail Trade

Dodecanamide, N,N-bis(2-hydroxyethyl)-: ACTIVE

응용 분야

용도N,N-Bis(2-hydroxyethyl)dodecanamide is used in preparation method of water-absorbent resin for improving anti-caking performance.

일반 설명Off-white waxy solid.

상·하류 제품 정보

상류 원료

라우릴산메틸에스테르라우르산다이에탄올아민

하류 제품

라우르산2-[(2-히드록시에틸)아미노]에틸에스테르

공급사100 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
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