페릴알데하이드
Perillaldehyde
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
2111-75-3- 표준 SMILES
C=C(C)C1CC=C(C=O)CC1- InChIKey
RUMOYJJNUMEFDD-UHFFFAOYSA-N- 분자식
- C10H14O
- 평균 분자량
- 150.22 g/mol
- 단동위원소 질량
- 150.10446507
개요
Perillyl aldehyde is an aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4. It has a role as a volatile oil component, a mouse metabolite and a human metabolite. It is an aldehyde and an olefinic compound.
이름 및 식별자
- 우선 이름
- Perillaldehyde
- IUPAC
- 4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
- 현지명
- 페릴알데하이드
- 영어명
- L-Perillaldehyde
- 분자식
- C10H14O
- 분자량
- 150.22
이름 및 동의어
PERILLALDEHYDEPerillyl aldehyde2111-75-3PerillalPerillic aldehydeP-Mentha-1,8-dien-7-al1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-4-prop-1-en-2-ylcyclohexene-1-carbaldehydeFEMA No. 35574-Isopropenyl-1-cyclohexene-1-carboxaldehyde6EQL0XA86G4-mentha-1,8-dien-7-al
이름 더 보기
페릴알데하이드p-멘타-1,8-디엔-7-알(S)-P-MENTHA-1,8-DIEN-7-ALL(-)-PERILLALDEHYDEPerilladehydeL-PERILLALDEHYDEL-PERILLALDEHYDE(S)-PERILLALDEHYDE(R)-l-Perillaldehyde(S)-(-)-PERILLALDEHYDE
DTXSID6051855NSC-138642CHEBI:15421RefChem:860315DTXCID9030412218-302-8Perilla aldehydeDihydrocuminyl aldehyde
데이터베이스 식별자
- CAS
2111-75-3- PubChem CID
- 16441
- DTXSID
DTXSID6051855- ChEMBL
CHEMBL469537- ChEBI
CHEBI:15421- UNII
- 6EQL0XA86G
- EC Number
- 218-302-8
- Nikkaji
- J2.142C
물성
구조 계산 물성보충 중
- XLogP
- 2.6
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 201
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Fragrances
Fragrance substance (Perilla aldehyde) -> IFRA amendment 49
Fragrance Ingredient (p-Mentha-1,8-dien-7-al) -> IFRA transparency List
LogP1.546
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.948-0.956
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in alcohols and oils
Miscible at room temperature (in ethanol)
Boiling Point
238.00 to 240.00 °C. @ 760.00 mm Hg
104 °C (10 mm Hg)
Melting Point< 25 °C
Refractive Index1.504-1.513
Physical Description
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (16.4%): 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 1682 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
유해성 정보
Regulatory Information
Chemical: 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-
Regulation (EC) No 1831/2003 (amended)
1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-: 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 InformationIMAP assessments - 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-: Human health tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (16.4%)
Skin sensitisation - category 1
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GW2967200
- 독성
- LD50 in mice (g/kg): 1.72 orally; in guinea pigs (g/kg): >5 dermally (Food Chem. Toxicol.)
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
IFRA Fragrance Standards
Perilla aldehyde
1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-; 4-Isopropenylcyclohex-1-ene-1-carbaldehyde; 4-Isopropenyl-1-cyclohexene-1-carboxaldehyde; Dihydrocuminic aldehyde; p-Mentha-1,8-dien-7-al; Perillaldehyde
IFRA_STD_052.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 Perillaldehyde in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.054 [Products applied to the lips]
0.016 [Products applied to the axillae]
0.32 [Products applied to the face/body using fingertips]
0.3 [Products related to fine fragrances]
0.076 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.076 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
응용 분야
관련 반응
2건
화합물 노트
불러오는 중…