기본 정보
- CAS
74338-72-0- 표준 SMILES
CC(C)=CCC(C)(C)C(=O)C(C)C- InChIKey
CTLDWNVYXLHMAS-UHFFFAOYSA-N- 분자식
- C12H22O
- 평균 분자량
- 182.3 g/mol
- 단동위원소 질량
- 182.16706532
이름 및 식별자
- 우선 이름
- 6-Octen-3-one, 2,4,4,7-tetramethyl-
- IUPAC
- 2,4,4,7-tetramethyloct-6-en-3-one
- 현지명
- 2,4,4,7-테트라메틸-6-옥텐-3-온
- 영어명
- 6-Octen-3-one, 2,4,4,7-tetramethyl-
- 분자식
- C12H22O
- 분자량
- 182.3
이름 및 동의어
6-Octen-3-one, 2,4,4,7-tetramethyl-74338-72-02,4,4,7-tetramethyl-6-octen-3-oneEC 422-520-0DTXSID9072789claritoneRefChem:544130DTXCID8047634422-520-0687-587-22,4,4,7-tetramethyloct-6-en-3-one2,4,4,7-tetramethyl-oct-6-en-3-one
이름 더 보기
2,4,4,7-테트라메틸-6-옥텐-3-온2,4,4,7-테트라메틸옥텐-3-온6-옥텐-3-온, 2,4,4,7-테트라메틸-6-옥텐-3-온,2,4,4,7-테트라메틸-
SCHEMBL81453NS00004389
데이터베이스 식별자
- CAS
74338-72-0- PubChem CID
- 9815427
- DTXSID
DTXSID9072789- EC Number
- 422-520-0、687-587-2
- Nikkaji
- J1.977.540B
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 205
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2,4,4,7-Tetramethyl-6-octen-3-one) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 239.7 · 239.7±9.0 °C(Predicted)
- 밀도
- 0.837 · 0.837±0.06 g/cm3(Predicted)
- 냄새
- 100 %에서 · 100.00%에서. 달콤한 허브 클라리 세이지 베르가못 페티그레인 트로피컬 감귤류
- 냄새 유형
- 약초
- LogP
- 3.67 · 3.670
- EPA
- 6 · 6-Octen-3-one, 2,4,4,7-tetramethyl- (74338-72-0)
화학적 성질
2,4,4,7-Tetramethyl-6-octen-3-one is a clear, colorless liquid with a fresh, green, and citrus herbal top note. It is reminiscent of the natural fruity freshness of grapefruit and clary sage oil and is used to create fresh top notes in a broad range of fragrance types.The material is prepared by alkylation of diisopropylketone with prenyl chloride.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315: 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)
Warning
H315 (100%): 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)
유해성 정보
Regulatory Information
Chemical: 6-Octen-3-one, 2,4,4,7-tetramethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2,4,4,7-tetramethyl-6-octen-3-one (EC: 422-520-0)
6-Octen-3-one, 2,4,4,7-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Skin irritation - category 2
Skin Irrit. 2
안전 데이터
- tsca
- TSCA listed
- risk_code
- 38-51/53
- hazard_code
- Xi,N
- safety_code
- 37-61
- 기존화학 물질
- 2009-2-49
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
2,4,4,7-Tetramethyl-6-octen-3-one
2,4,4,7-Tetramethyl-6-octen-3-one; Claritone (commercial name)
IFRA_STD_224.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
Use ClassificationFragrance Ingredients
General Manufacturing Information6-Octen-3-one, 2,4,4,7-tetramethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.34 [Products applied to the lips]
0.10 [Products applied to the axillae]
2.0 [Products applied to the face/body using fingertips]
1.9 [Products related to fine fragrances]
0.48 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.48 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
공급사4 곳
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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