기본 정보
- CAS
1754-00-3- 표준 SMILES
CC(C)=CCC=C(C)CC=O- InChIKey
OJLMARCQPSGYNE-UHFFFAOYSA-N- 분자식
- C10H16O
- 평균 분자량
- 152.23 g/mol
- 단동위원소 질량
- 152.12011513
개요
3,7-dimethyl-3,6-octadienal has been reported in Artemisia annua with data available.
이름 및 식별자
- 우선 이름
- 3,6-Octadienal, 3,7-dimethyl-
- IUPAC
- 3,7-dimethylocta-3,6-dienal
- 현지명
- 3,7-디메틸-3,6-옥타디엔알
- 영어명
- 3,7-dimethyl-3,6-octadienal
- 분자식
- C10H16O
- 분자량
- 152.23
이름 및 동의어
3,7-dimethylocta-3,6-dienal3,7-Dimethyl-3,6-octadienal55722-59-3EINECS 259-777-1DTXSID5069045RefChem:487635DTXCID3041956259-777-13,6-Octadienal, 3,7-dimethyl-SCHEMBL228319OJLMARCQPSGYNE-UHFFFAOYSA-NDB-240813
이름 더 보기
3,7-디메틸-3,6-옥타디엔알Isocitral
NS00087337
데이터베이스 식별자
- CAS
1754-00-3、55722-59-3- PubChem CID
- 108355
- DTXSID
DTXSID5069045- EC Number
- 259-777-1
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
- 4
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 171
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3,7-Dimethyl-3,6-octadienal) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 220.2 · 220.2±9.0 °C(Predicted)
- 밀도
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- 화장품 원료 기능
- 향수
- LogP
- 2.867 · 2.867 (est)
- EPA
- 3 · 3,6-Octadienal, 3,7-dimethyl- (55722-59-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (12.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: 3,6-Octadienal, 3,7-dimethyl-
Other Safety InformationIMAP assessments - 3,6-Octadienal, 3,7-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (12.4%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
3,7-Dimethyl-3,6-octadienal
3,6-Octadienal, 3,7-dimethyl-; 3,7-Dimethylocta-3,6-dienal; (E)-3,7-Dimethyl-3,6-octadienal; (Z)-3,7-Dimethyl-3,6-octadienal; Isocitral (Commercial name); Isogeranial (Commercial name); Isoneral (Commercial name)
IFRA_STD_205.pdf
49
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 3,7-Dimethyl-3,6-Octadienal in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information3,6-Octadienal, 3,7-dimethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.54 [Products applied to the lips]
0.16 [Products applied to the axillae]
0.03 [Products applied to the face/body using fingertips]
3 [Products related to fine fragrances]
0.76 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.12 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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