기본 정보
- CAS
29450-45-1- 표준 SMILES
CCCCC(CC)COC(=O)COc1ccc(Cl)cc1C- InChIKey
IDGRPSMONFWWEK-UHFFFAOYSA-N- 분자식
- C17H25ClO3
- 평균 분자량
- 312.8 g/mol
- 단동위원소 질량
- 312.1492223
이름 및 식별자
- 우선 이름
- MCPA-2-ethylhexyl
- IUPAC
- 2-ethylhexyl 2-(4-chloro-2-methylphenoxy)acetate
- 영어명
- 2-ethylhexyl (4-chloro-2-methylphenoxy)acetate
- 분자식
- C17H25ClO3
- 분자량
- 312.83
이름 및 동의어
MCPA-2-ethylhexyl29450-45-12-Ethylhexyl (4-chloro-2-methylphenoxy)acetatemcpa 2-ethylhexyl esterDTXSID5034698MCPA-2-ethylhexyl [ISO]D207K8VI5W2-Ethylhexyl ((4-chloro-o-tolyl)oxy)acetateMCPA ESTER 4EINECS 249-636-2DTXCID3014698Acetic acid, (4-chloro-2-methylphenoxy)-, 2-ethylhexyl ester
이름 더 보기
C14764000 MCPA-2-ethylhexyLesterMCPA-2-ETHYLHEXYL ESTER PESTANALMCPA-2-ethylhexyl ester in AcetonitrileMCPA 2-ethylhexyl ester@100 μg/mL in MethanolMCPA-2-ethylhexyl ester 100 μg/ml Acetonitrile
Acetic acid, 2-(4-chloro-2-methylphenoxy)-, 2-ethylhexyl esterAcetic acid, ((4-chloro-o-tolyl)oxy)-, 2-ethylhexyl esterRefChem:810710249-636-2MCPA-2-ethylhexyl ester2-ethylhexyl 2-(4-chloro-2-methylphenoxy)acetateUNII-D207K8VI5WMCPA-etexyl
데이터베이스 식별자
- CAS
29450-45-1- PubChem CID
- 93128
- DTXSID
DTXSID5034698- ChEMBL
CHEMBL3183385- UNII
- D207K8VI5W
- EC Number
- 249-636-2
- Nikkaji
- J250.846J
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 296
물리화학적 성질
- 끓는 점
- 387.3 · 387.3±27.0 °C(Predicted)
- 밀도
- 1.063 · 1.063
- 증기압
- 0.003 Pa · 0.003Pa at 20℃
- 굴절률
- 20 · n20/D (effective)
- 인화점
- 100 °C · >100 °C
- Henry's Law Constant
- 2.3 · 2.3×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- 주요 응용
- 농업환경
- InChI
- 1S/C17H25ClO3/c1-4-6-7-14(5-2)11-21-17(19)12-20-16-9-8-15(18)10-13(16)3/h8-10,14H,4-7,11-12H2,1-3H3
- InChIKey
- IDGRPSMONFWWEK-UHFFFAOYSA-N
- SMILES
- CCCCC(CC)COC(=O)COc1ccc(Cl)cc1C
- LogP
- -1.12 · -1.12-4.49 at 20℃ and pH4-10
- EPA
- -2 · MCPA-2-ethylhexyl (29450-45-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (41.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 162 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
REACH registered substance: 2-ethylhexyl (4-chloro-2-methylphenoxy)acetate (EC: 249-636-2)
MCPA-ethylhexyl: 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.
Other Safety InformationIMAP assessments - Acetic acid, (4-chloro-2-methylphenoxy)-, 2-ethylhexyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN3082 9/PG 3
- risk_code
- 22-36-50/53-20/21/22
- hazard_code
- Xn,N
- safety_code
- 26-60-61-13
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
Household ProductsInformation on 3 consumer products that contain MCPA-2-ethylhexyl ester in the following categories is provided:
공급사34 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉市恒久化工有限公司17317534732 17671758929 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司
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