기본 정보
- CAS
60241-53-4- 표준 SMILES
CC(O)C(C)CC1C(C)CCCC1(C)C- InChIKey
HMENPFAAAQWASO-UHFFFAOYSA-N- 분자식
- C14H28O
- 평균 분자량
- 212.37 g/mol
- 단동위원소 질량
- 212.21401551
이름 및 식별자
- 우선 이름
- alpha,beta,2,2,6-Pentamethylcyclohexanepropanol
- IUPAC
- 3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol
- 현지명
- ISO-메틸테트라히드로이오놀
- 영어명
- iso-Methyl tetrahydroionol
- 분자식
- C14H28O
- 분자량
- 212.37
이름 및 동의어
iso-Methyl tetrahydroionol60241-53-4MethyltetrahydroionolVIOLET PROPANOLCyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-TIMBRANOLW5L6ZT39B74-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-olEINECS 262-117-5alpha,beta,2,2,6-PentamethylcyclohexanepropanolCyclohexanepropanol, alpha,beta,2,2,6-pentamethyl-DTXSID90866798
이름 더 보기
ISO-메틸테트라히드로이오놀CORPS SANTALCyclohexanepropanol, α,β,2,2,6-pentamethyl-ALPHA,B,2,2,6-Pentamethylcyclohexanepropanolalpha,beta,2,2,6-Pentamethylcyclohexanpropanolalpha,beta,2,2,6-pentamethyl-cyclohexanepropano3-Methyl-4-(2,2,6-trimethylcyclohexyl)-2-butanol
.ALPHA.,.BETA.,2,2,6-PENTAMETHYLCYCLOHEXANEPROPANOLRefChem:555103DTXCID40815039262-117-5iso-MethyltetrahydroionolMethyl tetrahydroionol3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-olUNII-W5L6ZT39B7
데이터베이스 식별자
- CAS
60241-53-4- PubChem CID
- 108425
- DTXSID
DTXSID90866798- UNII
- W5L6ZT39B7
- EC Number
- 262-117-5
- Nikkaji
- J190.835I
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 198
실험 및 물리화학적 성질
Fragrances
Fragrance substance (1-(2,2,6-Trimethylcyclohexyl)-3-pentanol) -> IFRA amendment 51
Fragrance Ingredient (4-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-ol) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 259.2 · 259.2±8.0 °C(Predicted)
- 밀도
- 0.848 · 0.848±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 15.09 · 15.09±0.20(Predicted)
- 냄새
- 100 %에서 · 100.00%에서. 우디 바이올렛 삼나무 꽃무늬 용연향
- 냄새 유형
- 우디
- 화장품 원료 기능
- 향수
- LogP
- 4.97 · 4.970 (est)
- EPA
- 2 · Cyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl- (60241-53-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H411 (100%): 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 1583 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Cyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-
Cyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
1-(2,2,6-Trimethylcyclohexyl)-3-pentanol
1-(2,2,6-Trimethylcyclohexyl)-3-pentanol; Cyclohexanepropanol, α-ethyl-2,2,6-trimethyl-; Cyclohexanepropanol, alpha-ethyl-2,2,6-trimethyl-; alpha-Ethyl-2,2,6-trimethylcyclohexanepropanol; α-Ethyl-2,2,6-trimethylcyclohexanepropanol; .alpha.,.beta.,2,2,6-Pentamethylcyclohexanepropanol; .α.,.β.,2,2,6-Pentamethylcyclohexanepropanol; 3-Methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol; 4-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-ol; Cyclohexanepropanol, .α.,.β.,2,2,6-pentamethyl-; Cyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-; Methyltetrahydroionol; Iso-methyl tetrahydroionol; Madranol (commercial name)
IFRA_STD_251.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.096 [Products applied to the lips]
0.071 [Products applied to the axillae]
1.4 [Products applied to the face/body using fingertips]
1.3 [Products related to fine fragrances]
0.34 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.34 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
공급사2 곳
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
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