기본 정보
- CAS
6658-48-6- 표준 SMILES
CC(C)Cc1ccc(CC(C)C=O)cc1- InChIKey
YLIXVKUWWOQREC-UHFFFAOYSA-N- 분자식
- C14H20O
- 평균 분자량
- 204.31 g/mol
- 단동위원소 질량
- 204.15141526
이름 및 식별자
- 우선 이름
- 3-(p-Cumenyl)-2-methylpropionaldehyde
- IUPAC
- 2-methyl-3-[4-(2-methylpropyl)phenyl]propanal
- 현지명
- P-이소부틸-알파-메틸하이드로신남알데히드
- 영어명
- p-Isobutyl-alpha-methylhydrocinnamaldehyde
- 분자식
- C14H20O
- 분자량
- 204.31
이름 및 동의어
6658-48-63-(p-Cumenyl)-2-methylpropionaldehydeEINECS 229-695-0Benzenepropanal, alpha-methyl-4-(2-methylpropyl)-DTXSID4052346Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)-RefChem:495789DTXCID4030918229-695-03-(4-isobutylphenyl)-2-methylpropanal2-methyl-3-[4-(2-methylpropyl)phenyl]propanalcyclamen homoaldehyde
이름 더 보기
P-이소부틸-알파-메틸하이드로신남알데히드RhodialSilvial 00125433-(p-Cumenyl)-2-methylpropionaldehydP-ISOBUTYL-ALPHA-METHYLHYDROCINNAMALDEHYD4-ISOBUTYL-ALPHA-METHYLHYDROCINNAMALDEHYDEα-Methyl-4-(2-methylpropyl)benzenepropanalp-Isobutyl-alpha-methylhydrocinnamaldehydeBenzenepropanal, a-methyl-4-(2-methylpropyl)-
Z3NXK8Y7EXalpha-methyl-4-(2-methylpropyl)benzenepropanalSCHEMBL225582NS00012149alpha-methyl-3-(4-isobutyl-phenyl)-propionaldehyde
데이터베이스 식별자
- CAS
6658-48-6- PubChem CID
- 110914
- DTXSID
DTXSID4052346- UNII
- Z3NXK8Y7EX
- EC Number
- 229-695-0
- Nikkaji
- J298.050I
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
- 5
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 178
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (p-Isobutyl-alpha-methyl hydrocinnamaldehyde) -> IFRA transparency List
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 119 °C · 119 °C(Press: 1 Torr)
- 밀도
- 0.932 · 0.932±0.06 g/cm3(Predicted)
- 증기압
- 0.172 Pa · 0.172Pa at 20℃
- 냄새
- 100 %에서 · 100.00%에서. 꽃무늬 머게 백합 녹색 열대성 기름기 많은 해양 발사믹
- 냄새 유형
- 꽃향기
- 수용성
- 2.76 mg/L · 2.76mg/L at 25℃
- Henry's Law Constant
- 2.9 · 2.9×10-1 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
- 화장품 원료 기능
- 향수
- LogP
- 3.8 at · 3.8 at 35℃
- EPA
- -4 · Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)- (6658-48-6)
화학적 성질
P-ISOBUTYL-ALPHA-METHYLHYDROCINNAMALDEHYDE is a colorless liquid with a powerful, fresh, floralmuguet- like note. It is recommended as an alternative to the preceding aldehyde. As described earlier, the material can be produced starting from the corresponding benzaldehyde, which is available, for example, by formylation of isobutylbenzene.
안전 및 규제
GHS 분류
GHS Classification
Warning
H317 (> 99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1512 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: Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)-
Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)- 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)
Status: Active Update: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/25209
3-(p-cumenyl)-2-methylpropionaldehyde: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Phenyl propanaldehydes
Hazard Classes and CategoriesSkin Sens. 1 (> 99.9%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: 203,742 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
p-Isobutyl-alpha-methyl hydrocinnamaldehyde
p-Isobutyl-α-methyl hydro cinnamic aldehyde; Benzenepropanal, α-methyl-4-(2-methylpropyl)-; 3-(4-Isobutyl-phenyl)-2-methyl-propionaldehyde; 2-Methyl-3-[4-(2-methylpropyl)phenyl]propanal; 3-(p-Cumenyl)-2-methylpropionaldehyde; Cyclamen homoaldehyde; Rhodial (commercial name); Silvial (commercial name); Suzaral (commercial name)
IFRA_STD_045.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 2 consumer products that contain 3-(P-Cumenyl)-2-Methylpropionaldehyde in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.08 [Products applied to the lips]
0.053 [Products applied to the axillae]
0.8 [Products applied to the face/body using fingertips]
0.99 [Products related to fine fragrances]
0.25 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.25 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
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