기본 정보
- 표준 SMILES
CCCCOCCOC(=O)c1ccccc1- InChIKey
NMBQBIACXMPEQB-UHFFFAOYSA-N- 분자식
- C13H18O3
- 평균 분자량
- 222.28 g/mol
- 단동위원소 질량
- 222.12559443
이름 및 식별자
- 우선 이름
- 2-Butoxyethyl benzoate
- IUPAC
- 2-butoxyethyl benzoate
- 현지명
- 2-이소부톡시에틸벤조에이트
- 영어명
- 2-ISOBUTOXYETHYL BENZOATE
- 분자식
- C13H18O3
- 분자량
- 222.28
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5451-76-3- PubChem CID
- 79543
- DTXSID
DTXSID50863546- UNII
- GXR433LN7T
- EC Number
- 226-685-8
- Nikkaji
- J210.500D
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 186
실험 및 물리화학적 성질
물리화학적 성질
- 끓는 점
- 156.5 · 156.5-157.0 °C(Press: 14.5 Torr)
- 밀도
- 1.0277 g/cm3 · 1.0277 g/cm3(Temp: 25 °C)
- 증기압
- 0.028 Pa · 0.028Pa at 20℃
- 수용성
- 106 mg/L · 106mg/L at 20℃
- LogP
- 3.77 at · 3.77 at 30℃
- EPA
- 2 · Ethanol, 2-butoxy-, benzoate (5451-76-3)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (96.3%): Harmful if swallowed [Warning Acute toxicity, oral];H411 (95.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 109 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Ethanol, 2-butoxy-, 1-benzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-butoxy-, 1-benzoate 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: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23065
규제 정보
Regulatory Information
Ethanol, 2-butoxy-, 1-benzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-butoxy-, 1-benzoate 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: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23065
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanol, 2-butoxy-, 1-benzoate: ACTIVE
공급사20 곳
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