기본 정보
- 표준 SMILES
C=CC(=O)OCCCCCCCC- InChIKey
ANISOHQJBAQUQP-UHFFFAOYSA-N- 분자식
- C11H20O2
- 평균 분자량
- 184.27 g/mol
- 단동위원소 질량
- 184.14632988
이름 및 식별자
- 우선 이름
- Octyl acrylate
- IUPAC
- octyl prop-2-enoate
- 현지명
- N-OCTYL아크릴레이트
- 영어명
- N-OCTYL ACRYLATE
- 분자식
- C11H20O2
- 분자량
- 184.28
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2499-59-4- PubChem CID
- 17258
- DTXSID
DTXSID8044624- UNII
- EJN94319DN
- EC Number
- 219-696-4
- Nikkaji
- J99.452I
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 141
실험 및 물리화학적 성질
Kovats Retention Index
1273;1273
1295;1295
1625;1590;1595
물리화학적 성질
- 녹는점
- -58.7 °C · -58.7°C (estimate)
- 끓는 점
- 57 °C · 57°C 0,5mm
- 밀도
- 0 · 0,876 g/cm3
- 굴절률
- 1.437 · 1.437 (589.3 nm 20℃)
- 인화점
- 178 · 178
- 저장 조건
- Amber Vial, Refrigerator, Under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 무색
- InChI
- 1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3
- InChIKey
- ANISOHQJBAQUQP-UHFFFAOYSA-N
- SMILES
- CCCCCCCCOC(=O)C=C
- EPA
- Octyl acrylate (2499-59-4)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 13.3% (31 of 233) of reports.
Warning
H315 (86.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (85.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (85.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (48.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 233 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 31 of 233 reports by companies.;There are 16 notifications provided by 202 of 233 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
Chemical: 2-Propenoic acid, octyl ester;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
2-Propenoic acid, octyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, octyl 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, octyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Irrit. 2 (86.3%);Eye Irrit. 2 (85.8%);STOT SE 3 (85.4%);Aquatic Chronic 2 (48.1%)
Eye irritation - category 2A;Specific target organ toxicity (single exposure) - category 3;Skin irritation - category 2;Skin sensitisation - category 1;Hazardous to the aquatic environment (chronic) - category 1
규제 정보
Regulatory Information
Chemical: 2-Propenoic acid, octyl ester;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
2-Propenoic acid, octyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, octyl 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, octyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- WGK 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9 / PGIII
- HS 번호
- 2916120090
- risk_code
- 36/37/38-51/53
- hazard_code
- Xi,N
- safety_code
- 26-36/37/39-61-28
- 기존화학 물질
- KE-00209
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
Printing and Related Support Activities;Adhesive Manufacturing;Paint and Coating Manufacturing
2-Propenoic acid, octyl ester: ACTIVE
응용 분야
용도n-Octyl Acrylate acts as a reagent for the synthesis and properties of poly(n-octyl acrylate) with uniform polystyrene grafts used as compatibilizer for acrylic rubber/polystyrene blends.
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