5-Hexenyl Acetate

HCID 537536
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
5048-26-0
Standard SMILES
C=CCCCCOC(C)=O
InChIKey
MPLWNENKBSBMFN-UHFFFAOYSA-N
Molecular formula
C8H14O2
Average molar mass
142.2 g/mol
Monoisotopic mass
142.09937969

Names & identifiers

Preferred name
5-Hexenyl Acetate
IUPAC
hex-5-enyl acetate
English name
ACETIC ACID 5-HEXEN-1-YL ESTER
Molecular formula
C8H14O2
Molecular weight
142.2

Names & synonyms

5-Hexenyl acetate5048-26-0DTXSID80336950RefChem:536107DTXCID50288038610-535-7hex-5-en-1-yl acetatehex-5-enyl acetateAcetic acid 5-hexen-1-yl esterACETICACID5-HEXEN-1-YLESTERAcetic acid 5-hexenyl esterMFCD00060856
Show more names
6-Acetoxyhex-1-ene5-HexenylAcetate>5-HEXEN-1-YL ACETATE5-HEXEN-1-OL ACETATE1-Hexene-6-ol acetate
5-Hexene-1-ol, acetate6-Acetoxy-1-hexene5-Hexenyl acetate #5-hexen-1-yl acetate5-Hexenyl acetate, 97%SCHEMBL649480SCHEMBL9114833AKOS015903561

Database identifiers

CAS
5048-26-0
PubChem CID
537536
DTXSID
DTXSID80336950
EC Number
610-535-7
Nikkaji
J118.143B

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1001.4

1313；1313；1313；1313

Physicochemical properties

Boiling point
173 · 173-174 °C(lit.)
Density
0.883 g/mL · 0.883 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.423(lit.)
Flash point
141 °F · 141 °F
form
clear liquid
color
Colorless to Almost colorless

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
ridadr
UN 3272 3/PG 3
hs_code
2915390090
risk_code
10
Signal word
Warning

Chemistry & industry

Applications · 2 items

Uses(4E,7Z)-4,7-Tridecadienyl acetate,a component of the sex pheromone was synthesized from 5-hexenyl acetate. CM of 5-decene with 5-hexenyl acetate is used to produce the insect pheromone. Used in olefin cross metathesis.

General Description5-Hexenyl acetate is a linear ester. It can undergo ruthenium-catalyzed cross-metathesis reactions with α-substituted vinyl boronates in dichloromethane. It participates in the post-polymerization modification step during the preparation of poly(vinylnorbornene).

Suppliers35 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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

Compound notes

Loading…