CAS 69064-37-5 trans-2-Dodecen-1-ol (HCID 5352845)

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Basic information

CAS: 69064-37-5
Standard SMILES: CCCCCCCCC/C=C/CO
InChIKey: MLRYPOCSLBIUHY-ZHACJKMWSA-N
Molecular formula: C12H24O
Average molar mass: 184.32 g/mol
Monoisotopic mass: 184.18271539

Names & identifiers

Preferred name: trans-2-Dodecen-1-ol
IUPAC: (E)-dodec-2-en-1-ol
English name: TRANS-2-DODECEN-1-OL
Molecular formula: C12H24O
Molecular weight: 184.32

Names & synonyms

trans-2-Dodecen-1-ol69064-37-5(E)-2-Dodecenoltrans-dodec-2-enol(E)2-Dodecen-1-olDTXSID701017500RefChem:190597DTXCID80211394MLRYPOCSLBIUHY-ZHACJKMWSA-Ntrans-2-Dodecenol(E)-dodec-2-en-1-ol2-Dodecen-ol

Show more names

2-DODECEN-1-OLtrans-2-Dodecenol>TRANS-2-DODECEN-1-OL2-Dodecen-1-ol, (2E)-trans-2-Dodecen-1-ol,98%trans-2-Dodecen-1-ol, 96% (sum of isomers), max. 3% cis(E)-2-dodecen-1-ol,(2E)-2-dodecen-1-ol,trans-2-dodecenol

(2E)-dodec-2-en-1-olMFCD000140472-dodecenolE-2-dodecen-1-ol(2E)-2-dodecen-1-olSCHEMBL294780(E)-2-dodecen-1-ol69064-36-4

Database identifiers

CAS: 69064-37-5
PubChem CID: 5352845
DTXSID: DTXSID701017500
ChEMBL: CHEMBL2228468
EC Number: 614-914-8
Nikkaji: J208.445G、J285.439B

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 3 °C · 3°C(lit.)
Boiling point: 105 °C/0.1mm · 105°C/0.1mm
Density: 0.846 g/mL · 0.846 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.453
Flash point: 105 °C/0.1mm · 105°C/0.1mm
storage temp.: Refrigerator
solubility: Chloroform, Methanol (Slightly)
form: Oil
pka: 14.44 · 14.44±0.10(Predicted)
color: Colourless
Odor: 10 % · at 10.00 % in dipropylene glycol. oily fatty
Odor Type: fatty
LogP: 4.712 · 4.712 (est)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements

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 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-23
wgk: 3
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-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications · 1 item

Usestrans-2-Dodecenol is an intermediate in the synthesis of (4E, 8E)-Sphingadienine-C18-1-phosphate (S680680), which is an analogue of (4E, 14Z)-Sphingadienine-C18 (S680630), a sphingoid base of sea cucumber cerebroside that may have cytotoxicity activity against human colon cancer cells.