Cinnamonitrile
기본 정보
- CAS
1885-38-7- 표준 SMILES
N#C/C=C/c1ccccc1- InChIKey
ZWKNLRXFUTWSOY-QPJJXVBHSA-N- 분자식
- C9H7N
- 평균 분자량
- 129.16 g/mol
- 단동위원소 질량
- 129.05784923
개요
RN given refers to cpd without isomeric designation
이름 및 식별자
- 우선 이름
- Cinnamonitrile
- IUPAC
- (E)-3-phenylprop-2-enenitrile
- 영어명
- Cinnamonitrile
- 분자식
- C9H7N
- 분자량
- 129.16
이름 및 동의어
Cinnamonitrile4360-47-82-Propenenitrile, 3-phenyl-RefChem:577210224-441-51885-38-7trans-Cinnamonitrile3-PhenylacrylonitrileStyryl cyanide(E)-3-Phenylacrylonitrile2-Propenenitrile, 3-phenyl-, (2E)-(E)-Cinnamonitrile
이름 더 보기
CINNAMALVARou GuijingnaMonitrileAKOS B004065CiamonitrileCinnamonitril
(E)-3-Phenylprop-2-enenitrileCinnamyl nitrile3-Phenyl-2-propenenitrileCinnamonitrile, (E)-(2E)-3-phenylprop-2-enenitrilebeta-Cyanostyrene3-phenyl-acrylonitrile1-cyano-2-phenylethene
데이터베이스 식별자
- CAS
1885-38-7、4360-47-8- PubChem CID
- 1550846
- DTXSID
DTXSID8044385- ChEMBL
CHEMBL2387747- UNII
- H475UV3WWH
- EC Number
- 217-552-5、224-441-5
- Nikkaji
- J11.067A、J148.035I
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 155
실험 및 물리화학적 성질
SpringerMaterials PropertiesOptical coefficient
Fragrances
Fragrance Ingredient (Cinnamonitrile (isomer unspecified)) -> IFRA transparency List
Fragrance Ingredient (Cinnamyl nitrile) -> IFRA transparency List
LogP1.96
물리화학적 성질
- 녹는점
- 18 · 18-20 °C (lit.)
- 끓는 점
- 254 · 254-255 °C (lit.)
- 밀도
- 1.028 g/mL · 1.028 g/mL at 25 °C (lit.)
- 증기압
- 1.2 Pa · 1.2Pa at 20℃
- 굴절률
- 20 · n20/D 1.601(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 알코올에 용해됨
- 물리적 상태
- 액체
- 색상
- 무색~황색으로 투명함
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 니트릴 계피 카시아 딥 커민
- 냄새 유형
- 매운
- 수용성
- 불용성
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (98.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1608 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301 (86%): Toxic if swallowed [Danger Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: 2-Propenenitrile, 3-phenyl-, (E)-
Chemical: 2-Propenenitrile, 3-phenyl-
REACH registered substance: Cinnamonitrile (EC: 217-552-5)
Cinnamonitrile: Does not have an individual approval but may be used under an appropriate group standard
2-Propenenitrile, 3-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 3 (98.4%)
Acute Tox. 3 (86%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UD1440000
- ridadr
- 3276
- HS 번호
- 29269095
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 9
- Hazard Classifications
- Acute Tox. 3 Oral
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
Cinnamyl nitrile
Cinnamonitrile (E); trans-.β.-Phenylacrylonitrile; 2-Propenenitrile, 3-phenyl-, (E)-
IFRA_STD_020.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
Information on 5 consumer products that contain Trans-Cinnamonitrile in the following categories is provided:
Information on 5 consumer products that contain Cinnamonitrile in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
General Manufacturing Information
2-Propenenitrile, 3-phenyl-, (2E)-: ACTIVE
2-Propenenitrile, 3-phenyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.077 [Products applied to the lips]
0.023 [Products applied to the axillae]
0.46 [Products applied to the face/body using fingertips]
0.43 [Products related to fine fragrances]
0.11 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.11 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
응용 분야
출처Has apparently not been reported to occur in nature.
용도Cinnamonitrile is a parent compound whose derivatives can be applied as corrosion inhibitors for API J55 steel.
제조 방법
From styryl bromide and potassium cyanide (Arctander, 1969).
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