Basic information
- CAS
68480-25-1- Standard SMILES
CCCCCCCCCC/C=C/CO- InChIKey
VPYJHNADOJDSGU-VAWYXSNFSA-N- Molecular formula
- C13H26O
- Average molar mass
- 198.34 g/mol
- Monoisotopic mass
- 198.19836545
Overview
(2E)-2-tridecen-1-ol has been reported in Houttuynia cordata with data available.
Names & identifiers
- Preferred name
- 2-Tridecen-1-ol, (2E)-
- IUPAC
- (E)-tridec-2-en-1-ol
- English name
- trans-2-Tridecen-1-ol
- Molecular formula
- C13H26O
- Molecular weight
- 198.34
Names & synonyms
trans-2-Tridecen-1-ol74962-98-4(E)-tridec-2-en-1-ol2-Tridecen-1-ol, (E)-(E)-2-Tridecen-1-ol2-Tridecen-1-ol, (2E)-TRANS-2-TRIDECENOLEINECS 278-041-0VND7X225Z7AI3-36050FEMA NO. 46172-TRIDECEN-1-OL, TRANS
Show more names
E-2-Tridecen-1-ol(Z)-tridec-2-en-1-ol
[E]-2-tridecen-1-ol(E)-2-TridecenolRefChem:483821(2E)-2-Tridecen-1-ol(2E)-tridec-2-en-1-olMFCD000140482-Tridecen-1-ol, (Z)-74962-99-5
Database identifiers
- CAS
68480-25-1、74962-98-4- PubChem CID
- 5364949
- DTXSID
DTXSID40880868- ChEMBL
CHEMBL2228469- UNII
- VND7X225Z7
- EC Number
- 278-041-0
- Nikkaji
- J307.933C、J326.650H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.844-0.850 (20º)
Solubility
Very slightly soluble in water
Soluble (in ethanol)
Boiling Point278-279º
Refractive Index1.499-1.505
Physical DescriptionColourless clear liquid; mild waxy aroma
Physicochemical properties
- Melting point
- 28.6 °C · 28.6°C (estimate)
- Boiling point
- 282 · 282-283 °C(lit.)
- Density
- 0.853 g/mL · 0.853 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.455(lit.)
- FEMA
- 4617 · 4617 | TRANS-2-TRIDECENOL
- Flash point
Safety & regulation
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
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