기본 정보
- CAS
101-85-9- 표준 SMILES
CCCCC/C(=C/c1ccccc1)CO- InChIKey
LIPHCKNQPJXUQF-KAMYIIQDSA-N- 분자식
- C14H20O
- 평균 분자량
- 204.31 g/mol
- 단동위원소 질량
- 204.15141526
이름 및 식별자
- 우선 이름
- 2-Pentyl-3-phenylprop-2-en-1-ol
- IUPAC
- (2Z)-2-benzylideneheptan-1-ol
- 현지명
- 아밀신나밀알코올
- 영어명
- ALPHA-AMYLCINNAMYL ALCOHOL
- 분자식
- C14H20O
- 분자량
- 204.31
이름 및 동의어
2-Benzylideneheptanolalpha-Pentylcinnamyl alcohol2-Pentyl-3-phenylprop-2-en-1-olRefChem:4778882-benzylideneheptan-1-ol101-85-9alpha-Amylcinnamyl alcohol(2Z)-2-benzylideneheptan-1-ol943517-69-9(2Z)-2-(Phenylmethylene)-1-heptanol1-Heptanol, 2-(phenylmethylene)-, (2Z)-2-Amyl-3-phenyl-2-propen-1-ol
이름 더 보기
아밀신나밀알코올2-펜틸-3-페닐프로프-2-엔-1-올FEMA 2065α-Amylcinnamyl Alcohol2-BENZYLIDENE-1-HEPTANOLalpha-Amylcinnamic alcoholalpha-Amylcinnamyl alcohol solutionSKL068BUXINOL
36J0A47E6X2-(Phenylmethylene)-1-heptanol1-Heptanol, 2-(phenylmethylene)-(2E)-2-Pentyl-3-phenyl-2-propen-1-ola-amylcinnamyl alcohol2-Pentyl-3-phenyl-2-propen-1-olAmyl cinnamic alcohol|A-Amylcinnamyl alcohol
데이터베이스 식별자
- CAS
101-85-9、943517-69-9- PubChem CID
- 6076971
- ChEMBL
CHEMBL3182479- UNII
- 36J0A47E6X
- EC Number
- 202-982-8
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 178
실험 및 물리화학적 성질
CosmeticsCosmetics ingredient -> Base; Flavor; Fragrance
Fragrances
Fragrance substance (alpha-Amyl cinnamic alcohol) -> IFRA amendment 49
Fragrance Ingredient (alpha-Amylcinnamyl alcohol) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.954-0.962
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
miscible (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point
141.00 to 143.00 °C. @ 5.00 mm Hg
141 °C (5 mm Hg)
Refractive Index1.533-1.540
Physical DescriptionColourless to slightly yellow liquid, light floral note
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (87.4%): 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 318 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Heptanol, 2-(phenylmethylene)-
Hazard Traits - Fragrance Allergen
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Amyl cinnamyl alcohol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Data-poor fragrance chemicals: Environment tier II assessment
Hazard Classes and CategoriesSkin Irrit. 2 (87.4%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MJ3280000
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- 독성
- LD50 orl-rat: 4000 mg/kg FCTXAV 12,807,74
- HS 번호
- 2918195000
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-28109
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
IFRA Fragrance Standards
alpha-Amyl cinnamic alcohol
Amylcinnamyl alcohol; α-Amylcinnamyl alcohol; 2-Amyl-3-phenyl-2-propen-1-ol; 2-Benzylideneheptanol; 1-Heptanol, 2-(phenylmethylene)-; α-Pentylcinnamyl alcohol
IFRA_STD_004.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 Products
Cosmetics product ingredient: 2-Pentyl-3-phenylprop-2-en-1-ol (AMYLCINNAMYL ALCOHOL)
Information on 37 consumer products that contain Amylcinnamyl Alcohol 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
General Manufacturing Information1-Heptanol, 2-(phenylmethylene)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.27 [Products applied to the lips]
0.08 [Products applied to the axillae]
0.64 [Products applied to the face/body using fingertips]
1.5 [Products related to fine fragrances]
0.38 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.32 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
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