기본 정보
- 표준 SMILES
C=CC(=O)OCCCCOC(=O)C=C- InChIKey
JHWGFJBTMHEZME-UHFFFAOYSA-N- 분자식
- C10H14O4
- 평균 분자량
- 198.22 g/mol
- 단동위원소 질량
- 198.08920893
개요
RN given is for 1,4-butanediol diacrylate; structure
이름 및 식별자
- 우선 이름
- Butanediol diacrylate
- IUPAC
- 4-prop-2-enoyloxybutyl prop-2-enoate
- 현지명
- 1,4-부탄디올 디아크릴레이트
- 영어명
- 1,4-Butanediol diacrylate
- 분자식
- C10H14O4
- 분자량
- 198.22
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1070-70-8、31442-13-4、52277-33-5- PubChem CID
- 70613
- DTXSID
DTXSID6044779- ChEMBL
CHEMBL3182145- UNII
- 53P6JR1A3R
- EC Number
- 213-979-6、825-520-2
- Nikkaji
- J82.104G
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 196
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -7 °C · -7°C
- 끓는 점
- 83 °C/0.3 · 83 °C/0.3 mmHg (lit.)
- 밀도
- 1.051 g/mL · 1.051 g/mL at 25 °C (lit.)
- 증기압
- 0.83 hPa · 0.83 hPa (80 °C)
- 굴절률
- 20 · n20/D 1.456(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 16.3 g/L · 16.3g/L
- 물리적 상태
- 액체
- 색상
- 무색의
- Specific Gravity
- 1.055 · 1.055-1.105
- 폭발한계
- 1.3 · 1.3-7%(V)
- 수용성
- 물과 섞이지 않습니다.
- InChI
- 1S/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2
- InChIKey
- JHWGFJBTMHEZME-UHFFFAOYSA-N
- SMILES
- C=CC(=O)OCCCCOC(=O)C=C
- LogP
- 1.9 at · 1.9 at 23℃
- EPA
- 1 · 1,4-Butanediol diacrylate (1070-70-8)
화학적 성질
Colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H312: Harmful in contact with skin [Warning Acute toxicity, dermal]
P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Danger
H302 (59.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Poly(oxy-1,4-butanediyl), .alpha.-(1-oxo-2-propenyl)-.omega.-[(1-oxo-2-propenyl)oxy]-
Chemical: 2-Propenoic acid, 1,4-butanediyl ester
2-Propenoic acid, 1,1'-(1,4-butanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 1,1'-(1,4-butanediyl) 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)
FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
Status: Active Update: 22-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25214
1,4-Butanediol diacrylate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (59.2%)
Skin Irrit. 2 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UD3130000
- ridadr
- UN 1760 8/PG 2
- 독성
- mouse,LD50,oral,1gm/kg (1000mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
- HS 번호
- 2916 12 00
- risk_code
- 21-34-43-23
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-29447
- 자연 발화 온도
- 285 °C
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1A
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing Information
Miscellaneous Manufacturing
2-Propenoic acid, 1,1'-(1,4-butanediyl) ester: ACTIVE
2-Propenoic acid, diester with butanediol: INACTIVE
Poly(oxy-1,4-butanediyl), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-[(1-oxo-2-propen-1-yl)oxy]-: ACTIVE
응용 분야
개요A positive patch test was observed in a male process worker in a paint factory, sensitized to an epoxy diacrylate (1,4-butanediol diacrylate) contained in raw materials of UV -light-curable paint. The positive reaction was probably due to a cross reactivity.
용도1,4-Butanediol diacrylate is used as a multifunctional crosslinker. It is used in drying technology for paintings, coatings, inks, resins and adhesives. It serves as an intermediate product for polymer synthesis in the chemical industry.
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