Basic information
- CAS
7069-41-2- Standard SMILES
CCCCCCCCCC/C=C/C=O- InChIKey
VMUNAKQXJLHODT-VAWYXSNFSA-N- Molecular formula
- C13H24O
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.18271539
Names & identifiers
- Preferred name
- 2-Tridecenal
- IUPAC
- (E)-tridec-2-enal
- English name
- FEMA 3082
- Molecular formula
- C13H24O
- Molecular weight
- 196.33
Names & synonyms
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
Show more names
(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
Database identifiers
- 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
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
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
Physicochemical properties
- Melting point
- 5 °C · 5°C (estimate)
- Boiling point
- 115 · 115-118 °C10 mm Hg(lit.)
- Density
- 0.85 g/mL · 0.85 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.459(lit.)
- FLAVIS Number
- 5.195 · 05.195 | trans-2-Tridecenal
- Flash point
- 230 °F · >230 °F
- Odor
- 1 % · at 1.00 % in propylene glycol. waxy citrus rind tangerine fatty creamy soapy watery cilantro
- Odor Type
- waxy
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 5.3 · 5.30
- FDA UNII
- 950 P0MYML · C950P0MYML
- WGK Germany
- 2 · 2
- RTECS
- 4593000 · YD4593000
Safety & regulation
GHS classification
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.
Hazard information
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
Regulatory information
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
Safety data
- wgk
- 2
- rtecs
- YD4593000
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Uses & manufacturing
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
Suppliers11 total
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]
Additional notes
DefinitionChEBI: 2-tridecenal is a fatty aldehyde.
Related reactions
4 records
Compound notes
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