기본 정보
- CAS
5462-06-6- 표준 SMILES
COc1ccc(CC(C)C=O)cc1- InChIKey
VLFBSPUPYFTTNF-UHFFFAOYSA-N- 분자식
- C11H14O2
- 평균 분자량
- 178.23 g/mol
- 단동위원소 질량
- 178.09937969
이름 및 식별자
- 우선 이름
- 2-Methyl-3-(p-methoxyphenyl)propanal
- IUPAC
- 3-(4-methoxyphenyl)-2-methylpropanal
- 현지명
- 2-METHYL-3-(PARA-METHOXYPHENYL)-프로파날
- 영어명
- 2-Methyl-3-(para-methoxy phenyl)-propanal
- 분자식
- C11H14O2
- 분자량
- 178.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5462-06-6- PubChem CID
- 64813
- DTXSID
DTXSID6044567- UNII
- L7QWJ4USPC
- EC Number
- 226-749-5
- Nikkaji
- J58.401K
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 148
물리화학적 성질
- 끓는 점
- 270.46 °C · 270.46°C (rough estimate)
- 밀도
- 1.0292 · 1.0292 (rough estimate)
- 증기압
- 0.3 Pa · 0.3Pa at 24℃
- 굴절률
- 1.5103 · 1.5103 (estimate)
- 냄새
- 100 %에서 · 100.00%에서. 달콤한 아니스 바질 회향 라즈베리 그린
- 냄새 유형
- 회향풀
- 수용성
- 1.086 g/L · 1.086g/L at 24℃
- 화장품 원료 기능
- 향수
- LogP
- 2.3 at · 2.3 at 25℃
- EPA
- 4 · Benzenepropanal, 4-methoxy-.alpha.-methyl- (5462-06-6)
화학적 성질
2-METHYL-3-(PARA-METHOXY PHENYL)-PROPANA is a pale yellow liquid with licorice, anise note with slight fruity modification. It can be prepared by condensation of anisaldehyde with propanal and selective hydrogenation of the resulting 2-methyl-3-(4-methoxyphenyl)-2-propenal. It fits well with floral notes and is used in fine fragrances and cosmetics.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.2% (3 of 1748) of reports.
Warning
H317 (99.8%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (73.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H412 (87.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1748 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 1748 reports by companies.;There are 6 notifications provided by 1745 of 1748 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Benzenepropanal, 4-methoxy-.alpha.-methyl-
Status: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19498
3-(4-Methoxyphenyl)-2-methylpropanal: Does not have an individual approval but may be used under an appropriate group standard
규제 정보
Regulatory Information
Chemical: Benzenepropanal, 4-methoxy-.alpha.-methyl-
Status: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19498
3-(4-Methoxyphenyl)-2-methylpropanal: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- 2006-3-3494
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
4-Methoxy-alpha-methylbenzenepropanal
4-Methoxy-alpha-methylbenzenepropanal; 4-Methoxy-α-methylbenzenepropanal; 2-Anisylpropional; 2-(p-Anisyl)propanal; Benzenepropanal, 4-methoxy-α-methyl-; Benzenepropanal, 4-methoxy-alpha-methyl-; Hydrocinnamaldehyde, p-methoxy-a-methyl; p-Methoxyhydratropaldehyde; 4-Methoxy-α-methylbenzenepropanal; p-Methoxy-α-methylhydrocinnamaldehyde; p-Methoxy-alpha-methylhydrocinnamaldehyde; 3-(4-Methoxyphenyl)-2-methylpropanal; 3-(p-Methoxyphenyl)-2-methylpropionaldehyde; 2-Methyl-3-(p-methoxyphenyl)propanal; 2-Methyl-3-(4-methoxyphenyl)propionaldehyde; Canthoxal (commercial name); Fennaldehyde (commercial name); Foliaver (commercial name)
IFRA_STD_057.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
Restriction Limits in the Finished Product (%)
0.11 [Products applied to the lips]
0.14 [Products applied to the axillae]
0.75 [Products applied to the face/body using fingertips]
2.5 [Products related to fine fragrances]
0.64 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.64 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
공급사36 곳
관련 반응
화합물 노트
불러오는 중…