기본 정보
- CAS
101-85-9- 표준 SMILES
CCCCCC(=Cc1ccccc1)CO- InChIKey
LIPHCKNQPJXUQF-UHFFFAOYSA-N- 분자식
- C14H20O
- 평균 분자량
- 204.31 g/mol
- 단동위원소 질량
- 204.15141526
개요
See also: 2-Pentyl-3-phenylprop-2-en-1-ol (annotation moved to).
이름 및 식별자
- 우선 이름
- alpha-Amylcinnamyl alcohol
- IUPAC
- 2-benzylideneheptan-1-ol
- 현지명
- 아밀신나밀알코올
- 영어명
- ALPHA-AMYLCINNAMYL ALCOHOL
- 분자식
- C14H20O
- 분자량
- 204.31
이름 및 동의어
101-85-9alpha-Amylcinnamyl alcohol1-Heptanol, 2-(phenylmethylene)-MFCD23701615DTXSID20493932-(Phenylmethylene)-1-heptanolalpha-amyl cinnamyl alcohol(2E)-2-Pentyl-3-phenyl-2-propen-1-ol2-benzylidene-1-heptanoAMYLCINNAMYLICALCOHOLSCHEMBL8728392-(Phenylmethylene)-1-heptano
이름 더 보기
아밀신나밀알코올2-펜틸-3-페닐프로프-2-엔-1-올FEMA 2065α-Amylcinnamyl AlcoholAMYL CINNAMIC ALCOHOL2-Benzylideneheptan-1-ol2-BENZYLIDENE-1-HEPTANOLalpha-Amylcinnamic alcohol2-pentyl-3-phenylprop-2-en-1-olalpha-Amylcinnamyl alcohol solutionSKL068BUXINOL
LIPHCKNQPJXUQF-UHFFFAOYSA-NAKOS028108453G923982-Benzylideneheptan-1-ol, (30-35%, mixture with 2-Benzylheptanol )Alpha-Amylcinnamyl alcohol (30-35%, mixture with 2-Benzylheptanol )
데이터베이스 식별자
- CAS
101-85-9- PubChem CID
- 7584
- DTXSID
DTXSID2049393
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
물리화학적 성질
- 끓는 점
- 141 · 141-143 °C5 mm Hg(lit.)
- 밀도
- 0.952 g/mL · 0.952 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.519(lit.)
- FEMA
- 2065 · 2065 | ALPHA-AMYLCINNAMYL ALCOHOL
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- Insoluble in water, soluble in alcohol and oils.
- 산도 계수 (pKa)
- 14.69 · 14.69±0.10(Predicted)
- 냄새
- 100 %에서 · 100.00%에서. 플로럴 자스민 왁시
- 생물학적 소스
- synthetic
- 냄새 유형
- 매운
- JECFA Number
- 674 · 674
- BRN
- 3127316 · 3127316
- 주요 응용
- 청소용품화장품환경향료 및 향음식 및 음료개인 위생 관리
- 화장품 원료 기능
- 향수
- InChI
- 1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11+
- InChIKey
- LIPHCKNQPJXUQF-SDNWHVSQSA-N
- SMILES
- CCCCC\C(CO)=C/c1ccccc1
- LogP
- 4.37 · 4.37
- EPA
- 1 · 1-Heptanol, 2-(phenylmethylene)- (101-85-9)
화학적 성질
Yellow liquid; floral odor. Combustible.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: 1-Heptanol, 2-(phenylmethylene)-
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
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
- F 고인화성물질
- 10-23
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
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
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)]
응용 분야
용도Perfumery, flavoring.
제조 방법
From amylcinnamic aldehyde by reduction.
상·하류 제품 정보
상류 원료
공급사40 곳
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
济南路远生物医药科技有限公司13210587493 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…