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스테아릴아크릴레이트

Stearyl acrylate

HCID 62552
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
4813-57-4
표준 SMILES
C=CC(=O)OCCCCCCCCCCCCCCCCCC
InChIKey
FSAJWMJJORKPKS-UHFFFAOYSA-N
분자식
C21H40O2
평균 분자량
324.5 g/mol
단동위원소 질량
324.30283052

개요

See also: Stearyl acrylate polymer (110000 MW) (monomer of).

이름 및 식별자

우선 이름
Stearyl acrylate
IUPAC
octadecyl prop-2-enoate
현지명
스테아릴아크릴레이트
영어명
Octadecyl acrylate
분자식
C21H40O2
분자량
324.54

이름 및 동의어

Octadecyl acrylate4813-57-4Stearyl acrylaten-Octadecyl acrylate2-Propenoic acid, octadecyl esterOctadecyl 2-propenoateL37WJG7RTHBLEMMER SAEXCEPARL SUNII-L37WJG7RTHLIGHT ACRYLATE S-AEINECS 225-383-3
이름 더 보기
스테아릴아크릴레이트Octadecyl2-propenoate60%C18,20%C16OctadecylacrylatAcrylic acid octadecyloctadecyl prop-2-enoateStearyl acrylate COA TDSACRYLIC ACID STEARYL ESTER
VISCOAT STAAI3-15687EC 225-383-3Acrylic acid, octadecyl ester1-OCTADECANOL, ACRYLATEDTXSID9063613RefChem:9276DTXCID2040608

데이터베이스 식별자

CAS
4813-57-4
PubChem CID
62552
DTXSID
DTXSID9063613
UNII
L37WJG7RTH
EC Number
225-383-3
Nikkaji
J82.109H

물성

구조 계산 물성보충 중

XLogP
9.4
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
19
무거운 원자 수
23
형식 전하
0
복잡도
261

실험 및 물리화학적 성질

LogP7.1
Physical DescriptionLiquid; Other Solid; Liquid; Other Solid

물리화학적 성질

녹는점
28 °C · 28 °C
끓는 점
402.85 °C · 402.85°C (rough estimate)
밀도
0.8 g/mL · 0.8 g/mL at 25 °C (lit.)
증기압
0.001 Pa · 0.001Pa at 25℃
굴절률
1.5344 · 1.5344 (estimate)
인화점
113 °C · 113 °C - closed cup
저장 조건
2 · 2-8°C, stored under nitrogen
용해도
Insoluble in water
물리적 상태
powder to lump to clear liquid
색상
White or Colorless to Almost white or Almost colorless
수용성
260.9 ng/L · 260.9ng/L at 25℃
InChI
1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
InChIKey
FSAJWMJJORKPKS-UHFFFAOYSA-N

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.9% (3 of 339) of reports.

Warning

H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 339 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 2-Propenoic acid, octadecyl ester

2-Propenoic acid, octadecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, octadecyl ester 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: 08-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14496

2-Propenoic acid, octadecyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (99.1%)

안전 데이터

wgk
2
tsca
TSCA listed
ridadr
UN 3077 9 / PGIII
HS 번호
2916129000
risk_code
41-51/53-36/37/38-43-38
hazard_code
Xi,N
safety_code
26-39-61-36/37/39
기존화학 물질

화학 및 산업

용도 및 제조

U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesMonomers
Industry UsesIntermediate
General Manufacturing Information · 2건

Adhesive Manufacturing

2-Propenoic acid, octadecyl ester: ACTIVE

응용 분야 · 2건

개요Octadecyl acrylate is a versatile monomer extensively utilized in synthesizing polymer materials. It presents as a colorless and viscoelastic liquid. Its wide-ranging applications encompass coatings, adhesives, sealants, and printing inks, making it an indispensable ingredient in the polymer industry. Notably, Octadecyl acrylate contributes to the production of polymers used in various medical applications and the manufacturing of polyurethane foams. It serves as a valuable model for studying polymerization reactions, offering insights into the properties of polymer materials. During the polymerization process, Octadecyl acrylate undergoes a crucial reaction. This reaction involves the formation of covalent bonds between the monomer molecules. Precisely, addition polymerization occurs, where a monomer molecule adds to a double bond between two other monomer molecules, establishing the covalent bonds that create the polymer material.

용도Octadecyl Acrylate is a reagent used in the synthesis of comb-like polymers which are incorporated into waterborne latexes improving barrier properties.

관련 반응

20건
반응 기록 만들기
HRID 83952 반응식
HRID 83952반응물로uspto-grants-2014_09
HRID 685117 반응식
HRID 685117반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 861666 반응식
HRID 861666반응물로uspto-grants-1998_02
HRID 979260 반응식
HRID 979260반응물로uspto-grants-1987_05
HRID 979262 반응식
HRID 979262반응물로uspto-grants-1987_05
HRID 988742 반응식
HRID 988742반응물로uspto-grants-2003_10
HRID 1010504 반응식
HRID 1010504생성물로반응물로uspto-grants-2011_07
HRID 1109669 반응식
HRID 1109669반응물로uspto-grants-1994_06
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SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
LogP
9.08 at · 9.08 at 25℃
NIST
Octadecyl acrylate(4813-57-4)
EPA
Stearyl acrylate (4813-57-4)
KE-29615
Hazard Classifications
Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids