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기본 정보
- CAS
3913-02-8- 표준 SMILES
CCCCCCC(CO)CCCC- InChIKey
XMVBHZBLHNOQON-UHFFFAOYSA-N- 분자식
- C12H26O
- 평균 분자량
- 186.33 g/mol
- 단동위원소 질량
- 186.19836545
이름 및 식별자
- 우선 이름
- 2-Butyl-1-octanol
- IUPAC
- 2-butyloctan-1-ol
- 현지명
- 부틸옥탄올
- 영어명
- 2-Butyl-1-octanol
- 분자식
- C12H26O
- 분자량
- 186.33
이름 및 동의어
2-BUTYL-1-OCTANOL2-Butyloctan-1-olButyloctanol1-Octanol, 2-butyl-Jarcol I-12DTXSID0044818Michel XO-150-125-HydroxymethylundecaneGUERBET DODECANOLN442D9VO79NSC 2414NSC-2414
이름 더 보기
부틸옥탄올2-부틸-1-옥탄올2-butyl-1-octanoBuOAEA012C48-OH0/8/13ISOFOL 12BUTYL OCTANOL
EINECS 223-470-0ISOFOL 12 ALCOHOLBRN 1738522UNII-N442D9VO79AI3-19958DTXCID8024818CHEBI:84235MICHEL XO-150-12 ISO-LAURYL ALCOHOL
데이터베이스 식별자
- CAS
3913-02-8- PubChem CID
- 19800
- DTXSID
DTXSID0044818- ChEMBL
CHEMBL3183262- ChEBI
CHEBI:84235- UNII
- N442D9VO79
- EC Number
- 223-470-0
- Nikkaji
- J65.652F
물성
구조 계산 물성보충 중
- XLogP
- 4.8
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 91
실험 및 물리화학적 성질
Boiling Point145.00 to 149.00 °C. @ 760.00 mm Hg
Physical DescriptionColorless oily liquid with a sweet odor; [Sasol MSDS]
Kovats Retention Index
1277
1848；1853
물리화학적 성질
- 녹는점
- -80 °C · -80°C(lit.)
- 끓는 점
- 145 · 145-149 °C(lit.)
- 밀도
- 0.833 g/mL · 0.833 g/mL at 25 °C(lit.)
- 증기압
- 8.1 Pa · 8.1Pa at 37.8℃
- 굴절률
- 1.44 to · 1.4400 to 1.4440
- 인화점
- 113 °C · 113 °C
- 저장 조건
- Store at room temperature
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 15.09 · 15.09±0.10(Predicted)
- 색상
- 무색 내지 거의 무색
- 수용성
- 1 mg/L · 1mg/L at 23℃
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 26.1% (58 of 222) of reports.
Warning
H400 (73.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H411 (71.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 222 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 58 of 222 reports by companies.；There are 6 notifications provided by 164 of 222 reports by companies with hazard statement code(s).；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: 1-Octanol, 2-butyl-
Status: Active Update: 22-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11955
1-Octanol, 2-butyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mild skin irritant; [RTECS] An eye irritant; Ingestion may cause CNS depression, irritation, vomiting, diarrhea, and lung injury from aspiration; [Sasol MSDS] See Diisobutyl carbinol.
Hazard Classes and CategoriesAquatic Acute 1 (73.9%)；Aquatic Chronic 2 (71.6%)
독성 정보
Adverse Effects
화학 및 산업
약리 정보
Cellular LocationsExtracellular；Membrane
용도 및 제조
Uses
Used for industrial and institutional cleaning; [Sasol MSDS]
Metal Degreasing [Category: Clean]
Household ProductsInformation on 9 consumer products that contain Butyloctanol in the following categories is provided:；• Personal Care
Use ClassificationCosmetics -> Humectant
General Manufacturing Information1-Octanol, 2-butyl-: ACTIVE
응용 분야
용도2-Butyl-1-octanol (BuOA) has been used to synthesize:2-butyl-1-octyl-methacrylate (BOMA)3,5,5-trimethyl-1-hexyl methacrylate (TMHMA) hydrophobic polyesters in miniemulsion in the presence of large amounts of waterIt has also been used as an extraction solvent in extractive fed-batch experiments.
일반 설명2-Butyl-1-octanol (BuOA) is a long-chain glass forming monohydroxy alcohol.
상·하류 제품 정보
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