CAS 3070-53-9 1,6-Heptadiene (HCID 16968)

Names & identifiers

Preferred name: 1,6-Heptadiene
IUPAC: hepta-1,6-diene
English name: 1,6-Heptadiene
Molecular formula: C7H12
Molecular weight: 96.17

Names & synonyms

1,6-HEPTADIENE3070-53-9CH2=CH(CH2)3CH=CH2DTXSID2062828RefChem:73621DTXCID1038244626-010-0GEAWFZNTIFJMHR-UHFFFAOYSA-NHepta-1,6-dieneMFCD000086671,6-Heptadiene, 99%SCHEMBL21376

Show more names

1,6-Heptadiene>1,6-HEPTADIENE 99%1,6-Heptadiene,99%1,5-HEPTADIENE 99%1,6-HEPTADIENE 98% MIN.1,6-Heptadiene ISO 9001：2015 REACH

SCHEMBL143349SCHEMBL145152SCHEMBL148133SCHEMBL148792SCHEMBL277475SCHEMBL3498191SCHEMBL5675181AKOS025295109

Database identifiers

CAS: 3070-53-9
PubChem CID: 16968
DTXSID: DTXSID2062828
EC Number: 626-010-0
Nikkaji: J125.182A

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 45.1

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -129.4 · -129.4--129 °C (lit.)
Boiling point: 89 · 89-90 °C (lit.)
Density: 0.714 g/mL · 0.714 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.414(lit.)
Flash point: -10 °C · -10 °C
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Almost colorless
Water Solubility: 44 mg/L · 44mg/L(25 ºC)
BRN: 1731760 · 1731760
Henry's Law Constant: 5.6 · 5.6×10-5 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
InChI: 1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2
InChIKey: GEAWFZNTIFJMHR-UHFFFAOYSA-N
SMILES: C=CCCCC=C
CAS DataBase Reference: 3070 · 3070-53-9(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1,6-Heptadiene (3070-53-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07,GHS08
Signal word: Danger
Hazard statements: 225 · H225-H304-H315-H319-H335
Precautionary statements: 210 · P210-P261-P301+P310-P305+P351+P338-P331
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xn
Risk Statements: 11 · 11-36/37/38-65
Safety Statements: 16 · 16-26-62
RIDADR: 3295 · UN 3295 3/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2901.29 · 2901.29.5000
HazardClass: 3.1 · 3.1
PackingGroup: II
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 1 Eye · Asp. Tox. 1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

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, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3295 3/PG 2
hs_code: 2901.29.5000
risk_code: 11-36/37/38-65
Signal word: Danger
Symbol(GHS): GHS02,GHS07,GHS08
hazard_code: F,Xn
safety_code: 16-26-62
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H225-H304-H315-H319-H335
Hazard Classifications: Asp. Tox. 1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P261-P301+P310-P305+P351+P338-P331

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,6-Heptadiene: INACTIVE

Applications

Uses1,6-Heptadiene has been used as a starting reagent in asymmetric synthesis of all stereoisomers of 6-methylpipecolic acids.

General DescriptionHighly stereoselective and regiospecific living coordination polymerization of 1,6-heptadiene has been used to generate a spectrum of different physical forms of poly(1,3-methylenecyclohexane).

Upstream & downstream products

Upstream raw materials

1,7-Dibromoheptane 7-Bromo-1-heptene

Downstream products

1,7-Diaminoheptane 2,6-Heptanedione 1,2,6,7-Diepoxyheptane

Suppliers43 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

1 records

New reaction record

HRID 72106As reactantuspto-grants-2014_09

Compound notes

Loading…

Basic information