Acetic acid, 2-chloro-,3,7-dimethyl-6-octen-1-yl ester(CAS No. 5471-50-1) CAS NO.5471-50-1

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Purity:: 99%

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Keywords

Acetic acid, 2-chloro-,3,7-dimethyl-6-octen-1-yl ester
Acetic acid, 2-chloro-,3,7-dimethyl-6-octen-1-yl ester(CAS No. 5471-50-1)
5471-50-1

Quick Details

ProName: Acetic acid, 2-chloro-,3,7-dimethyl-6-...
CasNo: 5471-50-1
Molecular Formula: C12H21 Cl O2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【name】
acetic acid, 2-chloro-,3,7-dimethyl-6-octen-1-yl ester
【iupac name】
3,7-dimethyloct-6-enyl 2-chloroacetate
【cas registry number】
5471-50-1
【synonyms】
aceticacid, chloro-, 3,7-dimethyl-6-octenyl ester (9ci)
3,7-dimethyloct-6-en-1-ylchloroacetate
citronellyl chloroacetate
nsc 26513
【molecular formula】
c12h21 cl o2 (products with the same molecular formula)
【molecular weight】
0
【inchi】
inchi=1/c12h21clo2/c1-10(2)5-4-6-11(3)7-8-15-12(14)9-13/h5,11h,4,6-9h2,1-3h3
【canonical smiles】
cc(ccc=c(c)c)ccoc(=o)ccl
【mol file】
5471-50-1.mol
chemical and physical properties
【density】
0.989g/cm3
【boiling point】
299.3°c at 760 mmhg
【refractive index】
1.457
【flash point】
136.8°c
【computed properties】
molecular weight:232.74694 [g/mol]
molecular formula:c12h21clo2
xlogp3-aa:4.4
h-bond donor:0
h-bond acceptor:2
rotatable bond count:8
exact mass:232.123008
monoisotopic mass:232.123008
topological polar surface area:26.3
heavy atom count:15
formal charge:0
complexity:208
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:1
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:1
feature 3d hydrophobe count:3
effective rotor count:8
conformer sampling rmsd:1
cid conformer count:222