기본 정보
- CAS
141-11-7- 표준 SMILES
C=C(C)CCCC(C)CCOC(C)=O- InChIKey
WNXJCQNXNOOMDJ-UHFFFAOYSA-N- 분자식
- C12H22O2
- 평균 분자량
- 198.3 g/mol
- 단동위원소 질량
- 198.16197994
이름 및 식별자
- 우선 이름
- Rhodinyl acetate
- IUPAC
- 3,7-dimethyloct-7-enyl acetate
- 영어명
- RHODINYL ACETATE
- 분자식
- C12H22O2
- 분자량
- 198.3
이름 및 동의어
Rhodinyl acetate141-11-73,7-dimethyloct-7-en-1-yl acetate3,7-dimethyloct-7-enyl acetatealpha-Citronellyl acetate7-Octen-1-ol, 3,7-dimethyl-, 1-acetate7-OCTEN-1-OL, 3,7-DIMETHYL-, ACETATE3,7-Dimethyl-7-octen-1-yl acetate3,7-Dimethyl-7-octen-1-yl ethanoateRhodinyl ethanoateRhodinol acetate(S)-3,7-Dimethyloct-7-enyl acetate
이름 더 보기
Rhodinylacetatrhodinolacetatealpha-citronellylacetateRHODINYL ACETATE USP/EP/BP3,7-Dimethyl-7-octenyl=acetate3,7-dimethyl-7-octen-1-oacetate3,7-dimethyl-oct-7-enyl acetate3,7-Dimethyl-7-octen-1-ylacetate
EINECS 205-458-7BRN 1906633FEMA 2981.alpha.-Citronellyl acetateSCHEMBL891472DTXSID00861810LMFA07011010AKOS015911034
데이터베이스 식별자
- CAS
141-11-7、94481-73-9- PubChem CID
- 8833
- DTXSID
DTXSID00861810- EC Number
- 205-458-7、305-400-1
- Nikkaji
- J184.433D
물성
구조 계산 물성
- XLogP
- 4.1
- 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
- 185
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
FragrancesFragrance Ingredient (Rhodinyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.895-0.908
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol, most fixed oils; insoluble in glycerol, propylene glycol, water
1 ml in 2 ml 80% alcohol remains in soln to 10 ml (in ethanol)
Boiling Point237 °C
Refractive Index1.450-1.458
Physical Descriptioncolourless to slightly yellow liquid/light, fresh, rose-like odour
물리화학적 성질
- 끓는 점
- 237 °C · 237 °C(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1439 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 7-Octen-1-ol, 3,7-dimethyl-, acetate
7-Octen-1-ol, 3,7-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 7-Octen-1-ol, 3,7-dimethyl-, acetate: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (97.3%)
안전 데이터
- tsca
- TSCA listed
- rtecs
- RH3425000
- ridadr
- UN 1993 3/PG 3
- 독성
- The acute oral LD50 was reported to be > 5 ml/kg in the rat (Levenstein, 1973a). The acute dermal LD50 was reported to be > 5 ml/kg in the rabbit (Levenstein, 1973b).
- risk_code
- 10
- safety_code
- 16-26-36
- 기존화학 물질
- KE-11683
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information7-Octen-1-ol, 3,7-dimethyl-, 1-acetate: ACTIVE
응용 분야
출처Found in geranium oil.
용도Perfumery, flavoring agent.
제조 방법
By acetylation of rhodinol from geranium oil.
상·하류 제품 정보
상류 원료
공급사19 곳
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梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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