(E,E)-Farnesyl chloride

HCID 6003397

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Basic information

CAS: 67023-84-1
Standard SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CCl
InChIKey: BJVUJIDTICYHLL-YFVJMOTDSA-N
Molecular formula: C15H25Cl
Average molar mass: 240.81 g/mol
Monoisotopic mass: 240.16447848

Names & identifiers

Preferred name: (E,E)-Farnesyl chloride
IUPAC: (2E,6E)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
English name: TRANS,TRANS-1-CHLORO-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE
Molecular formula: C15H25Cl
Molecular weight: 240.81

Names & synonyms

67023-84-1(E,E)-Farnesyl chlorideRefChem:210456trans,trans-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatrienetrans,trans-Farnesyl chloride(2E,6E)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene2,6,10-Dodecatriene, 1-chloro-3,7,11-trimethyl-, (2E,6E)-(E,E)-Farnesyl Chloride; (2E,6E)-1-Chloro-3,7,11-trimethyldodeca-2,6,10-triene;C15H25ClSCHEMBL2770760DTXSID601313440trans,trans-Farnesyl chloride, 97%

Show more names

trans,trans-Farnesyl chloride 97%TRANS,TRANS-1-CHLORO-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE ISO 9001：2015 REACH

(6E,10E)-12-CHLORO-2,6,10-TRIMETHYLDODECA-2,6,10-TRIENEMFCD00192172AKOS015915281BS-24496G78058(E,E)-1-Chloro-3,7,11-trimethyl-2,6,10-dodecatriene(2E,6E)-1-chloro-3,7,11-trimethyl-dodeca-2,6,10-triene

Database identifiers

CAS: 67023-84-1
PubChem CID: 6003397
DTXSID: DTXSID601313440
EC Number: 806-285-5
Nikkaji: J509.162D

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 7
Heavy atoms: 16
Formal charge: 0
Complexity: 265

Physicochemical properties

Boiling point: 59 · 59-60 °C/2.4 mmHg (lit.)
Density: 0.916 g/mL · 0.916 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.493(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: liquid
InChI: 1S/C15H25Cl/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
InChIKey: BJVUJIDTICYHLL-YFVJMOTDSA-N
SMILES: [H]\C(CCl)=C(\C)CC\C([H])=C(/C)CC\C([H])=C(/C)C
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-27-36/37/39
RIDADR: 3334 · UN 3334
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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