7-Methyl-1,6-octadiene

HCID 557579CAS 42152-47-6
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCCCC=C(C)C
InChIKey
UCKITPBQPGXDHV-UHFFFAOYSA-N
Molecular formula
C9H16
Average molar mass
124.22 g/mol
Monoisotopic mass
124.12520051

Names & identifiers

Preferred name
7-Methyl-1,6-octadiene
IUPAC
7-methylocta-1,6-diene
English name
7-Methyl-1,6-octadiene
Molecular formula
C9H16
Molecular weight
124.22

Names & synonyms

7-Methyl-1,6-octadiene42152-47-61,6-Octadiene, 7-methyl-EC 404-210-7DTXSID0068367RefChem:106327DTXCID5040041UCKITPBQPGXDHV-UHFFFAOYSA-N7-methylocta-1,6-dieneSCHEMBL43730SCHEMBL4807374AKOS015916395
Show more names
Methyloctadiene7-methyl-6-octadiene7-Methyl-1,6-octadien7-METHYL-1,6-OCTADIENE 96+%
NS00003551

Database identifiers

CAS
42152-47-6
PubChem CID
557579
DTXSID
DTXSID0068367
EC Number
404-210-7、624-986-2
Nikkaji
J261.952K

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
4
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point
-70.83 °C · -70.83°C (estimate)
Boiling point
143 · 143-144 °C(lit.)
Density
0.753 g/mL · 0.753 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.436(lit.)
Flash point
79 °F · 79 °F
InChI
InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h4,8H,1,5-7H2,2-3H3

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4321

Hazard Classes and Categories · 6 items

Flam. Liq. 3 (100%)

Flam. Liq. 3 (100%)

Flammable liquid - category 3

Flammable liquids - Category 3

Hazardous to the aquatic environment (Long-term) - Category 2

Flam. Liq. 3

Safety data

wgk
2
tsca
TSCA listed
ridadr
UN 3295 3/PG 3
risk_code
10-50/53
Signal word
Warning
Symbol(GHS)
GHS02,GHS09

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,6-Octadiene, 7-methyl-: INACTIVE

Upstream & downstream products

Suppliers11 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611

Related reactions

1 records
New reaction record

Linked notes

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