Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Tetrahydromyrcenol
TETRALOL · TETRAHYDRO MUGUOL · Linacsol · Ai3-24902 · TETRALOL R · Einecs 242-361-9 · TETRAHYDROMYRCENOL · 2,6-dimethyl-2-octano
식별자 및 물리적 특성
| CAS No. | 18479-57-7 |
|---|---|
| 분자식 | C10H22O |
| 평균 분자량 | 158.28 g/mol |
| 단동위원소 질량 | 158.16706532 g/mol |
| SMILES | CCC(C)CCCC(C)(C)O |
| InChIKey | WRFXXJKURVTLSY-UHFFFAOYSA-N |
| PubChem CID | 86751 |
| ChEMBL | CHEMBL3188990 |
| EC No. | 242-361-9 |
| DTXSID | DTXSID0044810 |
화학 및 물리적 성질
| XLogP | 3.3 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 97 |
| 향료 | Fragrance Ingredient (Tetrahydromyrcenol) -> IFRA transparency List |
| Physical Description | CBILiquid |
| 녹는점 | -1.53°C (estimate) |
| 끓는 점 | 197-201 °C(lit.) |
| 밀도 | 0.823 g/mL at 25 °C(lit.) |
| 증기압 | 9.3Pa at 24℃ |
| 굴절률 | n20/D 1.4335(lit.) |
| 인화점 | 185 °F |
| pKa(산도 계수) | 15.33±0.29(Predicted) |
| 색상 | 무색의 액체. |
| 냄새 | 100.00%에서. 신선하고 달콤한 감귤류 라임 꽃무늬 백합 |
| 향취 유형 | 감귤류 |
| 용해도 | 281.9mg/L at 24℃ |
| 헨리 상수 | 2.7×10-2 mol/(m3Pa) at 25℃, Yaws (2003) |
| 화장품 원료 기능 | 향수 |
| LogP(분배 계수) | 3.2 at 25℃ |
| EPA | 2-Octanol, 2,6-dimethyl- (18479-57-7) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 97.8% (1584 of 1619) of all reports.Not ClassifiedAggregated GHS information provided per 1619 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 2-Octanol, 2,6-dimethyl-2-Octanol, 2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Octanol, 2,6-dimethyl- 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)REACH registered substance: 2,6-dimethyloctan-2-ol (EC: 242-361-9)2,6-dimethyloctan-2-ol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 독성 | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Wohl, 1974). |
| 위험 문구(R) | 52/53 |
| 안전 문구(S) | 61 |
| 기존화학 물질 | KE-11633 |
용도
출처
Has apparently not been reported to occur in nature.
용도
Tetrahydromuguol finds extensive use as a soap perfume chemical (mixture) and as a base for many types of floral fragrances, Muguet, Lilac, Rose, Lily, etc. It blends excellently with the conventional “rose materials”, alifatic aldehydes, Decenol, Amylcinnamic aldehyde, Butylcyclohexanyl acetate, etc. for such purposes.
제조 및 합성 방법
제조 방법
From allo-ocimene, via allo-ocimenol followed by hydrogenation (Arctander, 1969). Uses: Use in fragrances in the USA amounts to approximately 35,000 lb/yr.