기본 정보
- 표준 SMILES
CCC(C)c1ccc(O)cc1- InChIKey
ZUTYZAFDFLLILI-UHFFFAOYSA-N- 분자식
- C10H14O
- 평균 분자량
- 150.22 g/mol
- 단동위원소 질량
- 150.10446507
이름 및 식별자
- 우선 이름
- 4-sec-Butylphenol
- IUPAC
- 4-butan-2-ylphenol
- 현지명
- 4-sec-뷰틸페놀
- 영어명
- 4-(2-Butyl)phenol
- 분자식
- C10H14O
- 분자량
- 150.22
이름 및 동의어
4-sec-Butylphenol99-71-8p-sec-Butylphenol4-(1-Methylpropyl)phenolPhenol, 4-(1-methylpropyl)-4-(Butan-2-yl)phenol4-(2-Butyl)phenol1-Hydroxy-4-sec-butylbenzeneP-(SEC-BUTYL)PHENOLDTXSID7022332Phenol, p-(sec-butyl)-WU4KME5B3X
이름 더 보기
4-sec-뷰틸페놀4-(2-부틸)페놀PSBPPARA-SEC-BUTYLPHENOLC14139P-S-BUTYLPHENOLp-(sec-butyl)-phenoPhenol,p-sec-butyl-Phenol, p-sec-butyl-
NSC 2210EINECS 202-781-5BRN 1364714AI3-18887NSC-2210DTXCID502332RefChem:526708202-781-5
데이터베이스 식별자
- CAS
99-71-8- PubChem CID
- 7453
- DTXSID
DTXSID7022332- ChEMBL
CHEMBL29398- ChEBI
CHEBI:34442- UNII
- WU4KME5B3X
- EC Number
- 202-781-5
- Nikkaji
- J362J
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 103
실험 및 물리화학적 성질
Physical DescriptionLiquid; Other Solid
Kovats Retention Index
1265；1285
1313.7；1315.3；1317.9；1279；1293
2068
물리화학적 성질
- 녹는점
- 46 · 46-59 °C(lit.)
- 끓는 점
- 135 · 135-136 °C25 mm Hg(lit.)
- 밀도
- 0.986 · 0.9860
- 굴절률
- 1.5182 · 1.5182
- 인화점
- 240 °F · 240 °F
- 산도 계수 (pKa)
- 10.11 · 10.11±0.26(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- 수용성
- 0.96 g/L · 0.96g/L(25℃)
- Henry's Law Constant
- 3.6 · 3.6×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
- LogP
- 3.08 · 3.080
- NIST
- 4 · Phenol, 4-(1-methylpropyl)-(99-71-8)
- EPA
- 4 · 4-sec-Butylphenol (99-71-8)
화학적 성질
The butylphenols include several isomers. Solid butylphenols (28805-86-9) generally have properties similar to the above:
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (37.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H400 (26.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 147 reports by companies from 6 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
Chemical: Phenol, 4-(1-methylpropyl)-
Phenol, 4-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-(1-methylpropyl)- 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)
Other Safety InformationEvaluation - Propyl and butyl phenols
Hazard Classes and Categories
Skin Corr. 1B (100%)；Eye Dam. 1 (37.4%)；Aquatic Acute 1 (26.5%)
Acute toxicity (Oral) - Category 4；Skin corrosion/irritation - Category 1；Serious eye damage/eye irritation - Category 1；Specific target organ toxicity - Single exposure - Category 2 (systemic toxicity)；Specific target organ toxicity - Repeated exposure - Category 2 (kidney)；Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2
규제 정보
Regulatory Information
Chemical: Phenol, 4-(1-methylpropyl)-
Phenol, 4-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-(1-methylpropyl)- 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)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SJ8924000
- ridadr
- UN 2430 8/PG 2
- HS 번호
- 2907199090
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-04350
화학 및 산업
약리 정보
Metabolism/Metabolites4-sec-Butylphenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-butan-2-ylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
용도 및 제조
U.S. Production2023: 1,000,000 - <5,000,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate；Monomers
Use ClassificationFragrance Ingredients
General Manufacturing Information
Plastics Material and Resin Manufacturing
Phenol, 4-(1-methylpropyl)-: ACTIVE
응용 분야
용도Phenolic Resins, Epoxy Resins
상·하류 제품 정보
하류 제품
공급사50 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
上海毕楷科技有限公司18516304666
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
武汉卡诺斯科技有限公司18064039730 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
湖北诺纳科技有限公司59209883 17386169806 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
衢州市瑞尔丰化工有限公司0570-3066667
南京大唐化工有限责任公司025-85431992 13951889900 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
湖北诺纳科技有限公司027-59209883 17386138556 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
관련 반응
15건
연결된 노트
불러오는 중…