기본 정보
- CAS
20780-48-7- 표준 SMILES
CCC(C)(CCCC(C)C)OC(C)=O- InChIKey
RBKRCARRXLFUGJ-UHFFFAOYSA-N- 분자식
- C12H24O2
- 평균 분자량
- 200.32 g/mol
- 단동위원소 질량
- 200.17763
이름 및 식별자
- 우선 이름
- Tetrahydrolinalyl acetate
- IUPAC
- 3,7-dimethyloctan-3-yl acetate
- 현지명
- 테트라히드로리나일아세테이트
- 영어명
- Tetrahydrolinalyl acetate
- 분자식
- C12H24O2
- 분자량
- 200.32
이름 및 동의어
3,7-Dimethyloctan-3-yl acetateTetrahydrolinalyl acetateTetrahydro linalyl acetateDTXSID5041487Tetrahydro lavandulyl acetateUNII-2NDV3959AX2NDV3959AX3-Octanol, 3,7-dimethyl-, 3-acetateEINECS 244-033-0AI3-36198DTXCID3021487RefChem:188689
이름 더 보기
테트라히드로리나일아세테이트TETRAHYDROLINALYLACETATcitrus ocimenol acetateTETRAHYDRO MUGYL ACETATE3,7-Dimethyloctan-3-ylacetat3,7-dimethyl-3-octanoacetate3,7-dimethyloctan-3-ylacetateTETRAHYDROLINALYL ACETATE(SG)
RBKRCARRXLFUGJ-UHFFFAOYSA-N20780-48-73-Octanol, 3,7-dimethyl-, acetateSCHEMBL473499CHEMBL3187619Tox21_301933NCGC00255630-01CAS-20780-48-7
데이터베이스 식별자
- CAS
20780-48-7- PubChem CID
- 89385
- DTXSID
DTXSID5041487- ChEMBL
CHEMBL3187619- UNII
- 2NDV3959AX
- EC Number
- 244-033-0
- Nikkaji
- J225.332A
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 175
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Tetrahydrolinalyl acetate) -> IFRA transparency List
Physical DescriptionLiquid
Collision Cross Section154.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5041487]
물리화학적 성질
- 끓는 점
- 211.8 · 211.8±8.0 °C(Predicted)
- 밀도
- 0.868 · 0.868±0.06 g/cm3(Predicted)
- 증기압
- 19.23 Pa · 19.23Pa at 20℃
- 색상
- 무색의 유성 액체.
- 냄새
- 100 %에서 · 100.00%에서. 프레시 우디 베르가못 시트러스 플로랄
- 냄새 유형
- 꽃향기
- 수용성
- 1.58 mg/L · 1.58mg/L at 20℃
- 화장품 원료 기능
- 향수
- LogP
- 5.6 at · 5.6 at 20℃
- EPA
- 3 · 3-Octanol, 3,7-dimethyl-, acetate (20780-48-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (98.4%): 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 1654 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 3-Octanol, 3,7-dimethyl-, acetate
3-Octanol, 3,7-dimethyl-, 3-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Octanol, 3,7-dimethyl-, 3-acetate 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: 3,7-dimethyloctan-3-yl acetate (EC: 244-033-0)
3,7-dimethyloctan-3-yl acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (98.4%)
안전 데이터
- tsca
- 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).
- 기존화학 물질
- KE-11645
화학 및 산업
용도 및 제조
U.S. Production2023: 8,282,536 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 6 consumer products that contain Tetrahydrolinalyl acetate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
3-Octanol, 3,7-dimethyl-, 3-acetate: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature.
제조 방법
By acetylation of tetrahydromuguol (Arctander, 1969).
공급사12 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
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