기본 정보
- CAS
16587-71-6- 표준 SMILES
CCC(C)(C)C1CCC(=O)CC1- InChIKey
DCSKAMGZSIRJAQ-UHFFFAOYSA-N- 분자식
- C11H20O
- 평균 분자량
- 168.28 g/mol
- 단동위원소 질량
- 168.15141526
이름 및 식별자
- 우선 이름
- 4-tert-Pentylcyclohexanone
- IUPAC
- 4-(2-methylbutan-2-yl)cyclohexan-1-one
- 현지명
- 아이소펜틸사이클로헥산온
- 영어명
- 4-tert-Pentylcyclohexanone
- 분자식
- C11H20O
- 분자량
- 168.28
이름 및 동의어
16587-71-64-tert-Pentylcyclohexanone4-tert-AmylcyclohexanoneCyclohexanone, 4-(1,1-dimethylpropyl)-4-(1,1-Dimethylpropyl)cyclohexanoneOrivoneCYCLOHEXANONE, 4-tert-PENTYL-4-(tert-Pentyl)-cyclohexanoneNSC 21167DTXSID4047127EINECS 240-642-0isopentylcyclohexanone
이름 더 보기
아이소펜틸사이클로헥산온4-TERT-펜틸시클로헥사논MIVION4-T-AMYLCYCLOHEXANONEP-TERT-AMYL CYCLOHEXANONE4-tert-pentyl-cyclohexanon
BRN 2240475AI3-391624-Isopentylcyclohexanone5380BWU79XNSC-21167DTXCID20271274-07-00-00096 (Beilstein Handbook Reference)RefChem:526911
데이터베이스 식별자
- CAS
16587-71-6- PubChem CID
- 27941
- DTXSID
DTXSID4047127- ChEMBL
CHEMBL3182470- UNII
- 5380BWU79X
- EC Number
- 240-642-0
- Nikkaji
- J34.009J
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 160
실험 및 물리화학적 성질
Fragrances
Fragrance substance (Isopentylcyclohexanone) -> IFRA amendment 51
Fragrance Ingredient (4-t-Amylcyclohexanone) -> IFRA transparency List
물리화학적 성질
- 녹는점
- 96 °C · 96°C
- 끓는 점
- 124 · 124-125°C 16mm
- 밀도
- 0.92 · 0.92
- 증기압
- 4.2 Pa · 4.2Pa at 24℃
- 굴절률
- 1.469 · 1.4690
- 인화점
- 124 · 124-125°C/16mm
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- Insoluble in water, soluble in alcohol and perfume materials.
- 물리적 상태
- 고체
- 색상
- 강한 흙 냄새가 나는 무색의 액체
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 우디 드라이 오리스의 흙빛 녹나무
- 냄새 유형
- 우디
- 수용성
- 알코올에 용해됩니다. 물에 불용성.
- BRN
- 2240475 · 2240475
- 화장품 원료 기능
- 향기향수
- LogP
- 3.9 at · 3.9 at 25℃
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 15.9% (262 of 1644) of reports.
Warning
H315 (84.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1644 reports by companies from 8 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Cyclohexanone, 4-(1,1-dimethylpropyl)-
REACH registered substance: 4-tert-pentylcyclohexanone (EC: 240-642-0)
Cyclohexanone, 4-(1,1-dimethylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (84.1%)
안전 데이터
- tsca
- TSCA listed
- rtecs
- GW1960000
- 독성
- LD50 orl-rat: 4700 mg/kg FCTXAV 12,807,74
- HS 번호
- 2914290090
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
Isopentylcyclohexanone
Isopentylcyclohexanone; 4-(1,1-Dimethylpropyl)cyclohexanone; 4-t-Amylcyclohexanone; 4-tert-Amylcyclohexanone; 4-tert-Pentylcyclohexanone; Cyclohexanone, 4-(1,1-dimethylpropyl)-; p-tert Amyl cyclohexanone; Orris hexanone; 4-(2-Methylbutan-2-yl)cyclohexan-1-one; Orivone (commercial name)
IFRA_STD_236.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Household ProductsInformation on 1 consumer products that contain Isopentylcyclohexanone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexanone, 4-(1,1-dimethylpropyl)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.027 [Products applied to the lips]
0.0080 [Products applied to the axillae]
0.16 [Products applied to the face/body using fingertips]
0.15 [Products related to fine fragrances]
0.038 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.038 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
응용 분야
출처Has apparently not been reported to occur in nature.
용도It finds its application as a masking agent and a perfuming agent in cosmetic industry.
제조 방법
From 4-tert-amylcyclohexanol by chromic acid oxidation (Arctander, 1969).
상·하류 제품 정보
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