2-이소부톡시에틸벤조에이트

2-Butoxyethyl benzoate

HCID 79543CAS 5451-76-3

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

2-Butoxyethyl benzoateEthanol, 2-butoxy-, 1-benzoateAI3-30512NMBQBIACXMPEQB-UHFFFAOYSA-DTXSID50863546EINECS 226-685-8NSC 21857RefChem:86009DTXCID60812146226-685-8InChI=1/C13H18O3/c1-2-3-9-15-10-11-16-13(14)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3NMBQBIACXMPEQB-UHFFFAOYSA-N
이름 더 보기
2-이소부톡시에틸벤조에이트2-butoxy-ethanobenzoateISOBUTYL GLYCOL BENZOATEEthyl 2-isobutoxybenzoateISOBUTYL CELLOSOLVE BENZOATEBenzoic acid 2-butoxyethyl esterBENZOIC ACID 2-ISOBUTOXYETHYL ESTER
5451-76-32-ISOBUTOXYETHYL BENZOATE2-Butoxyethanol benzoateEthanol, 2-butoxy-, benzoateBenzoic acid, 2-butoxyethyl esterEthanol, 2-butoxy-,1-benzoateGXR433LN7TNSC-21857

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

실험 및 물리화학적 성질

Physical DescriptionLiquid

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 · 5건

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 · 2건

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

Hazard Classes and CategoriesAcute Tox. 4 (96.3%);Aquatic Chronic 2 (95.4%)

규제 정보

Regulatory Information · 2건

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

U.S. Production2023: 1,000,000 - <8,500,000 lb;2022: 75,000 - <500,000 lb;2021: 75,000 - <500,000 lb;2020: <75,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Ethanol, 2-butoxy-, 1-benzoate: ACTIVE

공급사20 곳

重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

관련 반응

2건

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