기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCCCCN(C)C- InChIKey
NAPSCFZYZVSQHF-UHFFFAOYSA-N- 분자식
- C20H43N
- 평균 분자량
- 297.6 g/mol
- 단동위원소 질량
- 297.33955038
개요
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.
이름 및 식별자
- 우선 이름
- Dimethyloctadecylamine
- IUPAC
- N,N-dimethyloctadecan-1-amine
- 현지명
- N,N-디메틸-1-옥타데칸아민
- 영어명
- N,N-Dimethyloctadecylamine
- 분자식
- C20H43N
- 분자량
- 297.56
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
124-28-7- PubChem CID
- 15365
- DTXSID
DTXSID4027026- ChEMBL
CHEMBL2110847- ChEBI
CHEBI:135258- UNII
- 066975NG22
- EC Number
- 204-694-8
- Nikkaji
- J5.548D
물성
구조 계산 물성
- XLogP
- 9.1
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 177
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 23 °C · 23 °C
- 끓는 점
- 347 °C · 347 °C
- 밀도
- 0.8 · 0.8
- 증기압
- 0.001 · 0.001-0.038Pa at 20-50℃
- 굴절률
- 1.4461 · 1.4461
- 인화점
- 155 °C · 155 °C
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 클로로포름(약간 용해됨), 헥산(약간 용해됨)
- 물리적 상태
- 녹은 후에 액체
- 산도 계수 (pKa)
- 9.78 · 9.78±0.28(Predicted)
- 색상
- 무색~황색으로 투명함
- 수용성
- 약간 용해됨
- 화장품 원료 기능
- 계면활성제 - 유화제헤어 컨디셔닝대전방지제
- InChIKey
- NAPSCFZYZVSQHF-UHFFFAOYSA-N
- LogP
- 1.3 · 1.3-5.1 at 20℃ and pH7.1-8.8
- 표면장력
- 32.2 mN/m · 32.2mN/m at 1g/L and 25℃
- NIST
- 1 · 1-Octadecanamine, n,n-dimethyl-(124-28-7)
- EPA
- N,N-Dimethyloctadecylamine (124-28-7)
화학적 성질
N,N-Dimethyloctadecylamine is Solid
안전 및 규제
GHS 분류
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]
유해성 정보
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
안전 및 보호
독성 정보
안전 데이터
- tsca
- TSCA listed
- rtecs
- RG4200000
- ridadr
- 2735
- 독성
- mouse,LD50,intraperitoneal,315mg/kg (315mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 517, 1991.
- HS 번호
- 29211999
- risk_code
- 34-22
- hazard_code
- C
- safety_code
- 45-36/37/39-26
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-11574
- 유해 물질 데이터
- 124-28-7(Hazardous Substances Data)
화학 및 산업
용도 및 제조
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.
응용 분야
용도N,N-Dimethyloctadecylamine is used as chemical intermediates for the manufacture of quaternary ammonium compounds, amine oxide and betaine surfactants
일반 설명N,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.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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