기본 정보
- 표준 SMILES
CCC(O)COC1CCCCC1C(C)(C)C- InChIKey
GQBVHGLNSHPKPG-UHFFFAOYSA-N- 분자식
- C14H28O2
- 평균 분자량
- 228.37 g/mol
- 단동위원소 질량
- 228.20893014
개요
See also: 1-((2-Tert-butyl)cyclohexyloxy)-2-butanol (annotation moved to); 1-(2-tert-Butyl cyclohexyloxy)-2-butanol (annotation moved to) ... View More ...
이름 및 식별자
- 우선 이름
- 2-tert-Butylcyclohexyloxybutanol
- IUPAC
- 1-(2-tert-butylcyclohexyl)oxybutan-2-ol
- 현지명
- 2-t-부틸사이클로헥실옥시부탄올
- 영어명
- 1-[[2-(1,1-Dimethylethyl)cyclohexyl]oxy]-2-butanol
- 분자식
- C14H28O2
- 분자량
- 228.37
이름 및 동의어
2-Butanol, 1-[[2-(1,1-dimethylethyl)cyclohexyl]oxy]-2-t-Butylcyclohexyloxy-2-butanol2-tert-butylcyclohexyloxybutanol1-(2-tert-butylcyclohexyloxy)-2-butanol1DR20642YH2-t-butylcyclohexyloxybutanol1-[(2-tert-butylcyclohexyl)oxy]butan-2-olDTXSID008698962-Butanol, 1-((2-(1,1-dimethylethyl)cyclohexyl)oxy)-1-((2-tert-Butylcyclohexyl)oxy)butan-2-olEC 412-300-2RefChem:483682
이름 더 보기
2-t-부틸사이클로헥실옥시부탄올1-(2-tert-뷰틸사이클로헥실옥시)뷰테인올2-t-부틸시클로헥실옥시부탄올amber butanol1-(2-tert-Butyl cyclohexyloxy)-2-butanol1-(2- tert- butylcyclohexyl)oxybutan-2-ol1-[[2-(1,1-Dimethylethyl)cyclohexyl]oxy]-2-butanol
DTXCID008177912-T-BUTYLCYCLOHEXYLOXYBUTANOL [INCI]2-Butanol, 1-2-(1,1-dimethylethyl)cyclohexyloxy-412-300-2Amber core139504-68-01-(2-tert-butylcyclohexyl)oxybutan-2-olSCHEMBL118256
데이터베이스 식별자
- CAS
139504-68-0- PubChem CID
- 164422
- DTXSID
DTXSID00869896- ChEMBL
CHEMBL3733013- UNII
- 1DR20642YH
- EC Number
- 412-300-2
- Nikkaji
- J1.049.710H
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 195
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (1-(2-tert.-Butyl cyclohexyloxy)-2-butanol) -> IFRA transparency List
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 272.1 · 272.1±8.0 °C(Predicted)
- 밀도
- 0.92 · 0.92±0.1 g/cm3(Predicted)
- 증기압
- 6.19 Pa · 6.19Pa at 25℃
- 산도 계수 (pKa)
- 14.46 · 14.46±0.20(Predicted)
- 냄새
- 100 %에서 · 100.00%에서. 우디 앰버 암브레트
- 냄새 유형
- 호박색
- 수용성
- 45.7 mg/L · 45.7mg/L at 20℃
- 화장품 원료 기능
- 향수향기
- LogP
- 3.81 at · 3.81 at 25℃
- EPA
- 2 · 2-Butanol, 1-[[2-(1,1-dimethylethyl)cyclohexyl]oxy]- (139504-68-0)
화학적 성질
1-[[2-(1,1-Dimethylethyl)cyclohexyl]oxy]-2-butanol is a clear liquid with a typical woody amber odor. It is used as a woody fixative in many different perfume types with a wide range of applications. The material is prepared by reaction of 2-tert-butylcyclohexanol with sodium hydride and 1,2-epoxybutane.
안전 및 규제
GHS 분류
GHS Classification
Warning
H319 (80.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1651 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
2-Butanol, 1-[[2-(1,1-dimethylethyl)cyclohexyl]oxy]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butanol, 1-[[2-(1,1-dimethylethyl)cyclohexyl]oxy]- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 1-[(2-tert-butylcyclohexyl)oxy]butan-2-ol (EC: 412-300-2)
2-Butanol, 1-2-(1,1-dimethylethyl)cyclohexyloxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (80.7%)
안전 데이터
- tsca
- TSCA listed
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 61
- 기존화학 물질
- 97-3-547
화학 및 산업
용도 및 제조
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
1-(2-tert.-Butyl cyclohexyloxy)-2-butanol
1-(2-tert.-Butyl cyclohexyloxy)-2-butanol; 1-(2-tert-Butylcyclohexyl)oxybutan-2-ol; 1-[(2-tert-Butylcyclohexyl)oxy]butan-2-ol; 1-(2-t.-Butyl cyclohexyloxy)-2-butanol; 1-(2-t-Butylcyclohexyl)oxybutan-2-ol; 1-[(2-t-Butylcyclohexyl)oxy]butan-2-ol; Amber Core (commercial name); Coramber (commercial name)
IFRA_STD_222.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 Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
2-Butanol, 1-[[2-(1,1-dimethylethyl)cyclohexyl]oxy]-: ACTIVE
Restriction Limits in the Finished Product (%)
0.24 [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)]
공급사17 곳
台州川旭医药科技有限公司[email protected] · [email protected]
安徽进博香料有限公司15102127101 15556562013 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
荆州市尹杰化工有限公司18008658728 · [email protected]
BOC Sciences[email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北拓源精细化工有限公司027-84700466 13260688474 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉青衫合源生物科技有限公司027-18327024450 18327024450 · [email protected]
上海鼎芬化学科技有限公司021-57450129 17701764569 · [email protected]
江阴市王馗生物科技有限公司18012478318 15061560683 · [email protected]
莱芜医药科技(上海)有限公司15800805830 · [email protected]
江西国恩香精香料有限公司17379691226 17379691226
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