기본 정보
- CAS
4756-19-8- 표준 SMILES
CC(CO)Cc1ccc(C(C)C)cc1- InChIKey
RQRYGVZUUYYXGA-UHFFFAOYSA-N- 분자식
- C13H20O
- 평균 분자량
- 192.3 g/mol
- 단동위원소 질량
- 192.15141526
개요
structure
이름 및 식별자
- 우선 이름
- beta-Methyl-4-(1-methylethyl)benzenepropanol
- IUPAC
- 2-methyl-3-(4-propan-2-ylphenyl)propan-1-ol
- 현지명
- 사이클라멘알코올
- 영어명
- 3-(p-cumenyl)-2-methylpropanol
- 분자식
- C13H20O
- 분자량
- 192.3
이름 및 동의어
Cyclamen alcohol4756-19-83-p-Cumenyl-2-methyl-1-propanol3-(4-Isopropylphenyl)-2-methyl-1-propanol95F15D1R7Bp-Isopropyl-beta-methylhydrocinnamic alcoholbeta-Methyl-4-(1-methylethyl)benzenepropanolDTXSID90863449Benzenepropanol, beta-methyl-4-(1-methylethyl)-RefChem:129169DTXCID00812069225-289-2
이름 더 보기
사이클라멘알코올3-(p-쿠메닐)-2-메틸프로판올1-Propanol, 3-p-cumenyl-2-methyl-β-Methyl-4-(1-methylethyl)benzenepropanolCyclamen alcohol 100 μg/mL in AcetonitrileBenzenepropanol, b-Methyl-4-(1-Methylethyl)-
3-(p-Cumenyl)-2-methylpropanol2-methyl-3-[4-(propan-2-yl)phenyl]propan-1-ol3-(4-ISOPROPYLPHENYL)-2-METHYLPROPAN-1-OL2-methyl-3-(4-propan-2-ylphenyl)propan-1-olBenzenepropanol, .beta.-methyl-4-(1-methylethyl)-EINECS 225-289-2.beta.-Methyl-4-(1-methylethyl)benzenepropanolUNII-95F15D1R7B
데이터베이스 식별자
- CAS
4756-19-8- PubChem CID
- 107334
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 145
실험 및 물리화학적 성질
FragrancesFragrance substance (Cyclamen alcohol) -> IFRA amendment 4
물리화학적 성질
- 끓는 점
- 116 °C · 116 °C(Press: 3 Torr)
- 밀도
- 0.946 g/cm3 · 0.946 g/cm3(Temp: 25 °C)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 14.95 · 14.95±0.10(Predicted)
- 색상
- 무색~담황색
- EPA
- -4 · .beta.-Methyl-4-(1-methylethyl)benzenepropanol (4756-19-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 127 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzenepropanol, .beta.-methyl-4-(1-methylethyl)-
Benzenepropanol, .beta.-methyl-4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Sens. 1 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
Cyclamen alcohol
3-(4-Isopropylphenyl)-2-methylpropan-1-ol; 3-(p-Isopropyl)phenyl-2-methyl-1-propanol; Benzenepropanol, .β.-methyl-4-(1-methylethyl)-
IFRA_STD_125.pdf
4
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient_Specification: This material should be used only if it meets the criteria stated in the Standard
General Manufacturing InformationBenzenepropanol, .beta.-methyl-4-(1-methylethyl)-: ACTIVE
응용 분야
용도3-(p-cumenyl)-2-methylpropanol is a cyclamen alcohol, a fragrance raw material, and thus can be used in the perfume industry.
공급사13 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
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