기본 정보
- CAS
7069-41-2- 표준 SMILES
CCCCCCCCCC/C=C/C=O- InChIKey
VMUNAKQXJLHODT-VAWYXSNFSA-N- 분자식
- C13H24O
- 평균 분자량
- 196.33 g/mol
- 단동위원소 질량
- 196.18271539
이름 및 식별자
- 우선 이름
- 2-Tridecenal
- IUPAC
- (E)-tridec-2-enal
- 영어명
- FEMA 3082
- 분자식
- C13H24O
- 분자량
- 196.33
이름 및 동의어
2-TRIDECENAL(E)-Tridec-2-enal7774-82-5trans-2-Tridecenal(2E)-2-Tridecenal7069-41-2FEMA No. 3082EINECS 231-883-2UNII-C950P0MYMLC950P0MYMLEINECS 230-362-72-TRANS-TRIDECENAL
이름 더 보기
(E)-2-Tridecanal(E)-2-Tridecenal(E)-tridecen-2-alrans-2-tridecenal(2E)-Tridec-2-enal
2-Tridecenal, (2E)-2-TRIDECEN-1-ALNSC-6176162-TRIDECENAL [FCC]2-TRIDECENAL [FHFI]2-TRIDECENAL, TRANS-DTXSID8052518FEMA 3082
데이터베이스 식별자
- CAS
7069-41-2、7774-82-5- PubChem CID
- 5283363
- DTXSID
DTXSID8052518- ChEMBL
CHEMBL1995395- ChEBI
CHEBI:184224- UNII
- C950P0MYML
- EC Number
- 230-362-7、231-883-2
- Nikkaji
- J227.363B、J60.731B
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 138
실험 및 물리화학적 성질
Density0.842-0.862
Solubility
very slightly
Soluble in most fixed oils; Insoluble in water
Soluble (in ethanol)
Boiling Point
115.00 to 118.00 °C. @ 10.00 mm Hg
115-118 °C (10 mm Hg)
Refractive Index1.455-1.461
Physical DescriptionColourless or slightly yellowish liquid; Oily, citus aroma
Kovats Retention Index
1541；1541；1544
1571；1582.4；1568.1
1974；1969；1982；1983；1956
1553；1553；1545
1868；1868
물리화학적 성질
- 녹는점
- 5 °C · 5°C (estimate)
- 끓는 점
- 115 · 115-118 °C10 mm Hg(lit.)
- 밀도
- 0.85 g/mL · 0.85 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.459(lit.)
- 인화점
- 230 °F · >230 °F
- 냄새
- 1 % · 프로필렌 글리콜 중 1.00%. 밀랍 같은 감귤류 껍질 귤 지방 크림 같은 비누 같은 물 같은 고수
- 냄새 유형
- 밀랍같은
- 화장품 원료 기능
- 향수
- LogP
- 5.3 · 5.30
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 98.9% (1395 of 1411) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 1395 of 1411 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 1411 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1395 of 1411 reports by companies.；There are 2 notifications provided by 16 of 1411 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: 2-Tridecenal
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Tridecenal: 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；IMAP assessments - Chemicals with limited data availability that are used in fragrances: Human health tier II assessment
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory Information
Chemical: 2-Tridecenal
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Tridecenal: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 2
- rtecs
- YD4593000
화학 및 산업
약리 정보
Cellular LocationsExtracellular；Membrane
용도 및 제조
Household ProductsInformation on 1 consumer products that contain Tridecenal in the following categories is provided:；• Commercial / Institutional
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Tridecenal: ACTIVE
공급사11 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
BOC Sciences[email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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