기본 정보
- CAS
20780-49-8- 표준 SMILES
CC(=O)OCCC(C)CCCC(C)C- InChIKey
XFPXWDJICXBWRU-UHFFFAOYSA-N- 분자식
- C12H24O2
- 평균 분자량
- 200.32 g/mol
- 단동위원소 질량
- 200.17763
개요
(R)-Dihydrocitronellol acetate is a carboxylic ester.
이름 및 식별자
- 우선 이름
- 1-Octanol, 3,7-dimethyl-, 1-acetate
- IUPAC
- 3,7-dimethyloctyl acetate
- 현지명
- 3,7-디메틸-1-옥탄올아세테이트
- 영어명
- 3,7-Dimethyl-1-octanol acetate
- 분자식
- C12H24O2
- 분자량
- 200.32
이름 및 동의어
3,7-Dimethyloctyl acetate20780-49-8Dihydrocitronellyl acetate1-OCTANOL, 3,7-DIMETHYL-, ACETATE3,7-Dimethyloctanyl acetate3,7-Dimethyl-1-octanyl acetate3,7-Dimethyl-1-octanol, acetate3,7-Dimethyl-1-octyl acetate3,7-Dimethyloctanyl-1-acetateEINECS 244-034-6AI3-288061-Octanol, 3,7-dimethyl-, 1-acetate
이름 더 보기
3,7-디메틸-1-옥탄올아세테이트DIMETHYL OCTANYL ACETATEDKSI1613,7-dimethyloctylacetatedihydrocitronellylacetateDIMETHYLOCTAN-3-YLACETATE3,7-Dimethyl-1-octylacetatTETRAHYDRO GERANYL ACETATE3,7-Dimethyloctanylacetate
DTXSID6051851RefChem:435195DTXCID0030407244-034-6Tetrahydrogeranyl acetate3,7-DIMETHYL-1-OCTANOLACETATE(R)-Dihydrocitronellol acetate3,7-DIMETHYL-1-OCTANOL ACETATE
데이터베이스 식별자
- CAS
20780-49-8- PubChem CID
- 30249
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 152
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3,7-Dimethyl-1-octanyl acetate) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
물리화학적 성질
- 녹는점
- -15.03 °C · -15.03°C (estimate)
- 끓는 점
- 238.06 °C · 238.06°C (estimate)
- 밀도
- 0.8678 · 0.8678 (estimate)
- 증기압
- 12.1 Pa · 12.1Pa at 25℃
- 굴절률
- 1.4139 · 1.4139 (estimate)
- 냄새
- 100 %에서 · 100.00%에서. 신선한 왁스 깨끗한 장미 달콤한 과일 꿀
- 냄새 유형
- 밀랍같은
- 수용성
- 4.7 mg/L · 4.7mg/L at 25℃
- 화장품 원료 기능
- 향수
- LogP
- 4.65 · 4.65
- EPA
- 1 · 1-Octanol, 3,7-dimethyl-, acetate (20780-49-8)
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 77.3% (174 of 225) of all reports.
Warning
H315 (17.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 225 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: 1-Octanol, 3,7-dimethyl-, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 3,7-dimethyl-1-octyl acetate (EC: 244-034-6)
1-Octanol, 3,7-dimethyl-, acetate: 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 Irrit. 2 (17.8%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-11644
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing Information1-Octanol, 3,7-dimethyl-, 1-acetate: ACTIVE
응용 분야
용도3,7-dimethyloctyl acetate is found used in perfume formulations as a modifier for Geranyl acetate, Citronellyl acetate and other esters, mainly in Rose compositions, and in soap perfumes of floral or sweet-fruity character.
공급사20 곳
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Junwee Chemical co., Ltd.+86-571-85808636 +86-13958122542 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
Shanghai Zhuangming Biopharma Co., Ltd.+86-2158073036 17312391916 · [email protected]
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