CAS 3383-83-3 1-Bromo-3,7-dimethyloctane (HCID 137914)

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Basic information

CAS: 3383-83-3
Standard SMILES: CC(C)CCCC(C)CCBr
InChIKey: VGSUDZKDSKCYJP-UHFFFAOYSA-N
Molecular formula: C10H21Br
Average molar mass: 221.18 g/mol
Monoisotopic mass: 220.08266277

Names & identifiers

Preferred name: 1-Bromo-3,7-dimethyloctane
IUPAC: 1-bromo-3,7-dimethyloctane
English name: 1-Bromo-3,7-dimethyloctane
Molecular formula: C10H21Br
Molecular weight: 221.18

Names & synonyms

1-Bromo-3,7-dimethyloctane3383-83-3DTXSID70955417RefChem:75090DTXCID10972401807-978-5VGSUDZKDSKCYJP-UHFFFAOYSA-N3,7-Dimethyloctyl bromide1-Bromo-3,7-dimethyl octaneMFCD000392013,7 dimethyloctylbromide1-Bromo-3,7-dimethyloctane, 96%

Show more names

DK746DKSI003DKFELEX0193

(+/-)-1-bromo-3,7-dimethyloctaneCS-W014739DS-4865Perhydrogeranyl BromideTetrahydrogeranyl BromideDihydrocitronellyl Bromide3,7-Dimethyl-1-bromooctaneOctane, 1-bromo-3,7-dimethyl-

Database identifiers

CAS: 3383-83-3
PubChem CID: 137914
DTXSID: DTXSID70955417
EC Number: 807-978-5
Nikkaji: J37.639F

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 78.9

Physicochemical properties

Boiling point: 135 · 135-140 °C10 mm Hg(lit.)
Density: 1.066 g/mL · 1.066 g/mL at 20 °C
refractive index: 20 · n20/D 1.455(lit.)
Flash point: 210 °F · 210 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Light yellow to Light orange
optical activity: 0.45 ° · 0.45° (C=1.48 g/100ml,CHCL3)
InChI: 1S/C10H21Br/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8H2,1-3H3
InChIKey: VGSUDZKDSKCYJP-UHFFFAOYSA-N
SMILES: CC(C)CCCC(C)CCBr
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315

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 2 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

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
ridadr: UN 1993 / PGIII
hs_code: 2903.39.2050
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 10 - Combustible liquids
Hazard statements: H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P