CAS 24615-84-7 2-Carboxyethyl acrylate (HCID 90558)

기본 정보

CAS: 24615-84-7
표준 SMILES: C=CC(=O)OCCC(=O)O
InChIKey: CYUZOYPRAQASLN-UHFFFAOYSA-N
분자식: C6H8O4
평균 분자량: 144.12 g/mol
단동위원소 질량: 144.04225873

이름 및 식별자

우선 이름: 2-Carboxyethyl acrylate
IUPAC: 3-prop-2-enoyloxypropanoic acid
현지명: 2-카르복시에틸 2-프로페노산염
영어명: 2-Carboxyethyl acrylate
분자식: C6H8O4
분자량: 144.13

이름 및 동의어

2-Carboxyethyl acrylate24615-84-72-Propenoic acid, 2-carboxyethyl ester3-Acryloyloxypropionic acidbeta-Carboxyethyl acrylate2-Carboxyethyl 2-propenoatebeta-(Acryloyloxy)propionic acidDTXSID2027834KM1E1216WRARONIX M 566C 800 (ACRYLATE)DTXCID807834

이름 더 보기

2-카르복시에틸2-프로페노산염2-카르복시에틸2-프로페노산염(2-CARBOXYETHYL2-PROPENOATE)카복시에틸아크릴레이트B-CEAβ-Carboxyethyl acrylateβ-Carboxyethyl AcrylateL-61045sipomerb-ceaSolvay β-CEAEinecs 246-359-9RARECHEM AL BO 0311

EBECRYL BETA-CEARefChem:4681802-carboxyethyl ester 2-propenoic acid246-359-93-prop-2-enoyloxypropanoic acid3-(acryloyloxy)propanoic acid2-carboxyethylacrylateHydracrylic acid acrylate

데이터베이스 식별자

CAS: 24615-84-7
PubChem CID: 90558
DTXSID: DTXSID2027834
ChEMBL: CHEMBL3185107
UNII: KM1E1216WR
EC Number: 246-359-9
Nikkaji: J52.386K

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 10
형식 전하: 0
복잡도: 150

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

끓는 점: 103 °C/19 · 103 °C/19 mmHg (lit.)
밀도: 1.214 g/mL · 1.214 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.457(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 2 O: · H2O: 용해성
산도 계수 (pKa): 3.95 · 3.95±0.10(Predicted)
수소이온지수(pH): 2.95 · 2.95 (10wt. % in H2O)
수용성: 2 O: · H2O: soluble
Merck: 13 · 13,132
화장품 원료 기능: 손톱 컨디셔닝
InChI: InChI=1S/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8)
InChIKey: CYUZOYPRAQASLN-UHFFFAOYSA-N
SMILES: C(OCCC(O)=O)(=O)C=C
LogP: 0.6 · 0.600 (est)
EPA: Hydracrylic acid acrylate (24615-84-7)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 7.1% (55 of 775) of reports.

Danger

H302 (71.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (57.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (77.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (14.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (73%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (14.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 775 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 55 of 775 reports by companies.；There are 13 notifications provided by 720 of 775 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.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Propenoic acid, 2-carboxyethyl ester

2-Propenoic acid, 2-carboxyethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 2-carboxyethyl 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)

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

Hazard Classes and CategoriesAcute Tox. 4 (71.2%)；Acute Tox. 4 (57.7%)；Skin Corr. 1B (77.8%)；Skin Irrit. 2 (14.8%)；Eye Dam. 1 (73%)；Eye Irrit. 2 (14.8%)

화학 및 산업

용도 및 제조

U.S. Production2023: 10,000,000 - <50,000,000 lb；2022: 10,000,000 - <50,000,000 lb；2021: 10,000,000 - <50,000,000 lb；2020: 10,000,000 - <50,000,000 lb

Consumer UsesMonomers

Industry UsesMonomers；Intermediate

General Manufacturing Information · 2건

Paint and Coating Manufacturing；All Other Chemical Product and Preparation Manufacturing；Printing and Related Support Activities；Adhesive Manufacturing；Miscellaneous Manufacturing；All Other Basic Organic Chemical Manufacturing

2-Propenoic acid, 2-carboxyethyl ester: ACTIVE

응용 분야

용도2-Carboxyethyl Acrylate is used in the preparation of DNase enzyme derivatives that act as potent preventative material of bacterial adhesion and biofilm formation in biomaterials.

제조 방법 · 1건

Synthesis of 1-ethoxyethyl acrylate (EEA) and protected 2-carboxyethyl acrylate (proCEA)EEA and proCEA were synthesized following a previously published procedure and distilled prior to use. For the synthesis of proCEA (Figure 1), phosphoric acid (109 mg, 1.11 mmol) was weighed into a dry round bottom flask in a glovebox and then taken outside the glovebox, taking care that the phosphoric acid stayed dry. 2-Carboxyethyl acrylate (80 g, 555 mmol) and ethyl vinyl ether (48 g, 666 mmol) were added and the reaction was stirred for two days at room temperature. Hydrotalcite (Mg6Al2(OH)16CO3·4H2O, ~1 g) was added, stirred for one hour and filtered off. Excess ethyl vinyl ether was removed under reduced pressure and the product was distilled under reduced pressure (80 °C, 1.3 mbar).Figure 1 Synthesis of proCEA