Basic information
- CAS
4900-30-5- Standard SMILES
C=CCCCCCC=C- InChIKey
VJHGSLHHMIELQD-UHFFFAOYSA-N- Molecular formula
- C9H16
- Average molar mass
- 124.22 g/mol
- Monoisotopic mass
- 124.12520051
Overview
1,8-nonadiene has been reported in Oryza sativa with data available.
Names & identifiers
- Preferred name
- 1,8-Nonadiene
- IUPAC
- nona-1,8-diene
- English name
- 1,8-Nonadiene
- Molecular formula
- C9H16
- Molecular weight
- 124.22
Names & synonyms
1,8-Nonadiene4900-30-5EINECS 225-527-5DTXSID6063642RefChem:73777DTXCID6040662VJHGSLHHMIELQD-UHFFFAOYSA-Nnona-1,8-dieneMFCD000086691,8-Nonadiene, 99%SCHEMBL23196SCHEMBL1541496
Show more names
NONADIENE1,8-Nonadiene>1,8-Nonadiene,99%1,8-NONADIENE 99%1,8-Nonadiene in methanol1,8-NONADIENE ISO 9001：2015 REACH
SCHEMBL6335468SCHEMBL9821419SCHEMBL10766039733U4MGR59AKOS025295366SY051755N0332NS00031844
Database identifiers
- CAS
4900-30-5- PubChem CID
- 78612
- DTXSID
DTXSID6063642- UNII
- 733U4MGR59
- EC Number
- 225-527-5
- Nikkaji
- J147.979B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 62.1
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -70.83 °C · -70.83°C (estimate)
- Boiling point
- 141 · 141-142 °C (lit.)
- Density
- 0.74 g/mL · 0.74 g/mL at 25 °C (lit.)
- vapor density
- 1 · >1 (vs air)
- refractive index
- 1.4265 · 1.4265-1.4285
- Flash point
- 26 °C · 26 °C
- storage temp.
- Flammables area
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- hydrocarbon citrus
- InChI
- 1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-9H2
- InChIKey
- VJHGSLHHMIELQD-UHFFFAOYSA-N
- SMILES
- C=CCCCCCC=C
- LogP
- 4.476 · 4.476 (est)
- CAS DataBase Reference
- 4900 · 4900-30-5(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1,8-Nonadiene (4900-30-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P303+P361+P353-P405-P501a-P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-10
- Safety Statements
- 37 · 37/39-26-16-36/37/39
- RIDADR
- 1993 · 1993
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2901.29 · 2901.29.5000
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,8-Nonadiene
1,8-Nonadiene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2901.29.5000
- risk_code
- 36/37/38-10
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-16-36/37/39
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P303+P361+P353-P405-P501a-P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,8-Nonadiene: ACTIVE
Applications
Uses1,8-Nonadiene is a useful reagent for organic synthesis and other chemical processes.
General DescriptionRing-closing metathesis reaction of 1,8-nonadiene in the presence of KCl has been studied.
Upstream & downstream products
Upstream raw materials
Suppliers35 total
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Related reactions
1 records
Compound notes
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