기본 정보
- 표준 SMILES
Oc1ccccc1C1CCCCC1- InChIKey
MVRPPTGLVPEMPI-UHFFFAOYSA-N- 분자식
- C12H16O
- 평균 분자량
- 176.25 g/mol
- 단동위원소 질량
- 176.12011513
이름 및 식별자
- 우선 이름
- o-Cyclohexylphenol
- IUPAC
- 2-cyclohexylphenol
- 현지명
- 2-사이클로헥실페놀
- 영어명
- 2-Cyclohexylphenol
- 분자식
- C12H16O
- 분자량
- 176.25
이름 및 동의어
2-CYCLOHEXYLPHENOL119-42-6o-CyclohexylphenolPhenol, 2-cyclohexyl-Phenol, o-cyclohexyl-KIR1PB30LIPhenol, cyclohexyl-NSC 6093NSC-6093EINECS 204-322-4AI3-09047DTXSID2059487
이름 더 보기
2-사이클로헥실페놀2-cyclohexyl-pheno2-Cyclohexylphenol >2-HYDROXYPHENYLCYCLOHEXANE
EINECS 247-813-9oCyclohexylphenolPhenol, ocyclohexylPhenol, 2cyclohexylRefChem:855235Phenol, ocyclohexyl (8CI)Phenol, o-cyclohexyl-(8CI)DTXCID0033465
데이터베이스 식별자
- CAS
119-42-6、26570-85-4- PubChem CID
- 8396
- DTXSID
DTXSID2059487- ChEMBL
CHEMBL1812771- UNII
- KIR1PB30LI
- EC Number
- 204-322-4、247-813-9
- Nikkaji
- J95.548E
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 149
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Phenols
SpringerMaterials PropertiesDielectric constant
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 56 °C · 56°C
- 끓는 점
- 284 °C · 284 °C
- 밀도
- 0.9452 · 0.9452 (rough estimate)
- 굴절률
- 1.5415 · 1.5415 (estimate)
- 인화점
- 134 ℃ · 134℃
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 10.41 · 10.41±0.30(Predicted)
- 색상
- White to Light yellow to Light orange
- 수용성
- 83.33 mg/L · 83.33mg/L(25℃)
- InChI
- InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
- InChIKey
- MVRPPTGLVPEMPI-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC=C1C1CCCCC1
- EPA
- 2 · Phenol, 2-cyclohexyl- (119-42-6)
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 117 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Phenol, 2-cyclohexyl-
Status: Active Update: 19-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21008
Phenol, 2-cyclohexyl-: 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.
Hazards SummaryAn irritant that may cause serious eye injury; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (66.7%)
안전 데이터
- tsca
- TSCA listed
- ridadr
- 3077
- HS 번호
- 29071990
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 기존화학 물질
- KE-09257
화학 및 산업
용도 및 제조
General Manufacturing Information
Phenol, 2-cyclohexyl-: ACTIVE
Phenol, cyclohexyl-: INACTIVE
응용 분야
용도2-Cyclohexylphenol is a reagent used in the synthesis of thyroid hormone receptor β-agonists.
상·하류 제품 정보
상류 원료
하류 제품
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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