기본 정보
- CAS
4802-20-4- 표준 SMILES
CC1CCC(C(C)CS)CC1S- InChIKey
SUNXFMPZAFGPFW-UHFFFAOYSA-N- 분자식
- C10H20S2
- 평균 분자량
- 204.4 g/mol
- 단동위원소 질량
- 204.10064299
이름 및 식별자
- 우선 이름
- 3-Mercapto-beta,4-dimethylcyclohexaneethanethiol
- IUPAC
- 2-methyl-5-(1-sulfanylpropan-2-yl)cyclohexane-1-thiol
- 영어명
- Dipentene dimercaptan
- 분자식
- C10H20S2
- 분자량
- 204.4
이름 및 동의어
DipentenedimercaptanLimonene dimercaptan4802-20-4p-Menthane-2,9-dithiolDTXSID20255016VT7ZT00C52,9-DIMERCAPTO-P-MENTHANENSC-48040NSC-80673DTXCID905501Cyclohexaneethanethiol, 3-mercapto-beta,4-dimethyl-RefChem:580556
이름 더 보기
2,9-P-MENTHANEDITHIOLb,4-Dimethyl-3-mercaptocyclohexanethylthiol4802-20-4 C10H20S2 DIPENTENE DIMERCAPTANβ,4-dimethyl-3-mercaptocyclohexaneethylthiol3-Mercapto-β,4-dimethylcyclohexaneethanethiol3-Mercapto-β,4-dimethylcyclohexaneethanethiol
3-Mercapto-beta,4-dimethylcyclohexaneethanethiol225-363-4Dipentene dimercaptan2-methyl-5-(1-sulfanylpropan-2-yl)cyclohexane-1-thiol2-(4-methyl-3-sulfanylcyclohexyl)propane-1-thiolCyclohexaneethanethiol, 3-mercapto-.beta.,4-dimethyl-2-(3-mercapto-4-methylcyclohexyl)propyl hydrosulfideCyclohexaneethanethiol,4-dimethyl-
데이터베이스 식별자
- CAS
4802-20-4- PubChem CID
- 20936
- DTXSID
DTXSID2025501- ChEMBL
CHEMBL3184994- UNII
- 6VT7ZT00C5
- EC Number
- 225-363-4
- Nikkaji
- J39.353C
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 136
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Cyclohexaneethanethiol, 3-mercapto-b,4-dimethyl-) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 121 · 121-125 °C(Press: 4 Torr)
- 밀도
- 1.0326 g/cm3 · 1.0326 g/cm3(Temp: 14 °C)
- 산도 계수 (pKa)
- 10.29 · 10.29±0.10(Predicted)
- LogP
- 4.554 · 4.554 (est)
- EPA
- -2 · p-Menthane-2,9-dithiol (4802-20-4)
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 49.2% (89 of 181) of reports.
Warning
H302 (17.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 181 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclohexaneethanethiol, 3-mercapto-.beta.,4-dimethyl-
Cyclohexaneethanethiol, 3-mercapto-.beta.,4-dimethyl-: 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.
Hazard Classes and CategoriesAcute Tox. 4 (17.1%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-23094
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexaneethanethiol, 3-mercapto-.beta.,4-dimethyl-: ACTIVE
응용 분야
일반 설명Pale yellow liquid.
공급사4 곳
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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