기본 정보
- CAS
137-03-1- 표준 SMILES
CCCCCCCC1CCCC1=O- InChIKey
PJXHBTZLHITWFX-UHFFFAOYSA-N- 분자식
- C12H22O
- 평균 분자량
- 182.3 g/mol
- 단동위원소 질량
- 182.16706532
개요
structure in first source
이름 및 식별자
- 우선 이름
- 2-Heptylcyclopentanone
- IUPAC
- 2-heptylcyclopentan-1-one
- 현지명
- 2-헵틸사이클로펜타논
- 영어명
- 2-n-Heptylcyclopentanone
- 분자식
- C12H22O
- 분자량
- 182.3
이름 및 동의어
2-HEPTYLCYCLOPENTANONE137-03-12-Heptylcyclopentan-1-oneCyclopentanone, 2-heptyl-AlismoneDTXSID8044547FLEURAMONEFRUTALONE4984B2X8AHNSC-78468DTXCID6024547RefChem:472841
이름 더 보기
2-헵틸사이클로펜타논HEPTONENSC 78468CYCLOAMYLONfleuramone (IFF)2-heptyl-cyclopentanonN-HEPTYL CYCLOPENTANONE
205-273-12-n-HeptylcyclopentanoneCyclopentanone, 2-n-heptyl-MFCD0001931571607-27-72-(n-Heptyl)cyclopentanonealpha-Heptyl cyclopentanonealpha-Heptylcyclopentanone
데이터베이스 식별자
- CAS
137-03-1、71607-27-7- PubChem CID
- 8710
- DTXSID
DTXSID8044547- ChEMBL
CHEMBL3185887- UNII
- 4984B2X8AH
- EC Number
- 205-273-1、275-671-8
- Nikkaji
- J72.736I
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 151
실험 및 물리화학적 성질
CosmeticsSolvent
FragrancesFragrance Ingredient (2-Heptylcyclopentanone) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid; CBI
물리화학적 성질
- 끓는 점
- 264 °C · 264 °C
- 밀도
- 0.89 · 0.89
- 증기압
- 2.4 Pa · 2.4Pa at 24℃
- 굴절률
- 1.4526 · 1.4526 (589.3 nm 20℃)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- Practically insoluble in water, soluble in alcohol and oils.
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 냄새
- 100 %에서 · 100.00%에서. 신선한 과일 복숭아 이소자스몬 기름진 열대
- 냄새 유형
- 과일 같은
- 수용성
- 31 mg/L · 31mg/L at 24℃
- 화장품 원료 기능
- 향기향수
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (84.3%): 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 1693 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclopentanone, 2-heptyl-
Cyclopentanone, 2-heptyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentanone, 2-heptyl- 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-heptylcyclopentanone (EC: 205-273-1)
2-heptylcyclopentanone: 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 human health
Hazard Classes and CategoriesSkin Irrit. 2 (84.3%)
안전 데이터
- tsca
- TSCA listed
- rtecs
- GY4950000
- 독성
- The acute oral LD50 value in rats was reported as > 5 g/kg (Shelanski, 1973). The acute dermal LD50 value in rabbits was reported as 5 g/kg (Shelanski, 1973).
- HS 번호
- 2914.29.5000
- risk_code
- 36/37/38
- safety_code
- 26-37
화학 및 산업
용도 및 제조
U.S. Production2023: <75,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 5 consumer products that contain 2-Heptylcyclopentanone in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Solvent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Cyclopentanone, 2-heptyl-: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature.
제조 방법
By catalytic reduction of heptylidene cyclopentanone (Arctander, 1969).
관련 반응
3건
화합물 노트
불러오는 중…