CAS 10353-53-4 1,2-Epoxy-5-hexene (HCID 66314)

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Basic information

CAS: 10353-53-4
Standard SMILES: C=CCCC1CO1
InChIKey: MUUOUUYKIVSIAR-UHFFFAOYSA-N
Molecular formula: C6H10O
Average molar mass: 98.14 g/mol
Monoisotopic mass: 98.07316494

Overview

structure in first source

Names & identifiers

Preferred name: 1,2-Epoxy-5-hexene
IUPAC: 2-but-3-enyloxirane
English name: 1,2-Epoxy-5-hexene
Molecular formula: C6H10O
Molecular weight: 98.14

Names & synonyms

1,2-Epoxy-5-hexeneRefChem:45530410353-53-4Diallyl monoxide2-(but-3-en-1-yl)oxirane2-but-3-enyloxirane2-(3-Butenyl)oxiraneDiallyl monooxideOxirane, 3-butenyl-1-Hexene, 5,6-epoxy-5,6-epoxy-1-hexen5,6-Epoxy-1-hexene

Show more names

diallylmonoxidediallylmonooxide3-butenyloxirane1,2-Epoxy-5-hexane

MFCD000100515,6-Epoxyhex-1-eneCCRIS 3748EINECS 233-771-9BRN 0104509omega-Butenyloxirane(S)-(-)-1,2-EPOXY-5-HEXENE2-(But-3-enyl)oxirane

Database identifiers

CAS: 10353-53-4
PubChem CID: 66314
DTXSID: DTXSID20908458
EC Number: 233-771-9
Nikkaji: J236.281C

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 68.6

Physicochemical properties

Boiling point: 119 · 119-121 °C (lit.)
Density: 0.87 g/mL · 0.87 g/mL at 25 °C (lit.)
refractive index: 1.424 · 1.424-1.426
Flash point: 15 °C · 15 °C
storage temp.: 2 · 2-8°C
solubility: soluble in Methanol
form: Liquid
Specific Gravity: 0.87 · 0.87
color: Clear colorless to slightly yellow
InChI: InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2
InChIKey: MUUOUUYKIVSIAR-UHFFFAOYSA-N
SMILES: O1CC1CCC=C
CAS DataBase Reference: 10353 · 10353-53-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 3 · Oxirane, 3-butenyl-(10353-53-4)
UNSPSC Code: 12162002 · 12162002

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Oxirane, 3-butenyl-

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

wgk: 3
rtecs: MP6780000
ridadr: 1992
hs_code: 29109000
risk_code: 45-36/37/38-20/21/22-11-48/20/21/22-41-37/38-46-25
Signal word: Danger
Symbol(GHS): GHS02,GHS06,GHS08
hazard_code: T-F,T,F
safety_code: 53-45-37/39-26-16-36/37/39
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Blood
Hazard statements: H225-H301-H340-H350-H373
Hazard Classifications: Acute Tox. 3 OralCarc. 1AFlam. Liq. 2Muta. 1BSTOT RE 2