2-Tridecen-1-ol

HCID 110370

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 68480-25-1
Standard SMILES: CCCCCCCCCCC=CCO
InChIKey: VPYJHNADOJDSGU-UHFFFAOYSA-N
Molecular formula: C13H26O
Average molar mass: 198.34 g/mol
Monoisotopic mass: 198.19836545

Overview

2-Tridecen-1-ol has been reported in Aesculus hippocastanum with data available.

Names & identifiers

Preferred name: 2-Tridecen-1-ol
IUPAC: tridec-2-en-1-ol
English name: trans-2-Tridecen-1-ol 97
Molecular formula: C13H26O
Molecular weight: 198.34

Names & synonyms

tridec-2-en-1-ol2-Tridecen-1-ol68480-25-1EINECS 270-902-9DTXSID7071573RefChem:483820DTXCID3046035270-902-9TRANS-2-TRIDECEN-1-OL 972-tridecene-1-olorb2939559SCHEMBL1246059

Show more names

Transtridecenol(E)-tridec-2-en-1-oltrans-2-Tridecen-1-ol 97trans-2-Tridecen-1-ol

74962-99-5DB-055926NS00036612

Database identifiers

CAS: 68480-25-1
PubChem CID: 110370
DTXSID: DTXSID7071573
EC Number: 270-902-9

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 10
Heavy atoms: 14
Formal charge: 0
Complexity: 118

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.)
Flash point: 230 °F · >230 °F
pka: 14.71 · 14.71±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow
Odor: mild waxy
Odor Type: waxy
LogP: 5.47 · 5.47
EPA Substance Registry System: 2 · 2-Tridecen-1-ol (68480-25-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2905.29 · 2905.29.9000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 2-Tridecen-1-ol

2-Tridecen-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Tridecen-1-ol: Human health tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 2905.29.9000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Tridecen-1-ol: ACTIVE

Applications

Usestrans-2-Tridecen-1-ol is a biochemical reagent that can be used as a biological material or organic compound for life science related research.