3,5-Heptanedione, 2,6-dimethyl-

HCID 87597CAS 18362-64-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)C(=O)CC(=O)C(C)C
InChIKey
CEGGECULKVTYMM-UHFFFAOYSA-N
Molecular formula
C9H16O2
Average molar mass
156.22 g/mol
Monoisotopic mass
156.11502975

Names & identifiers

Preferred name
3,5-Heptanedione, 2,6-dimethyl-
IUPAC
2,6-dimethylheptane-3,5-dione
English name
2,6-Dimethyl-3,5-heptanedione
Molecular formula
C9H16O2
Molecular weight
156.22

Names & synonyms

2,6-Dimethyl-3,5-heptanedione18362-64-63,5-Heptanedione, 2,6-dimethyl-EINECS 242-234-8DTXSID80879615RefChem:91638DTXCID201017624CEGGECULKVTYMM-UHFFFAOYSA-N2,6-Dimethylheptane-3,5-dioneMFCD00015040DiisobutyrylmethaneSCHEMBL181668
Show more names
2,6-dimethyl-5-heptanedioneAKOS MSC-03842,6-Dimethylheptan-3,5-dion2,6-Dimethyl-3,5-heptadione2,6-Dimethyl-3,5-heptanedione>2,6-Dimethyl-3,5-heptanedione,99%
2,6-dimethyl-3,5-heptandione2,6-dimethyl-heptane-3,5-dioneSBB056494AKOS004115273CS-W017999AS-47892SY010595A4059

Database identifiers

CAS
18362-64-6
PubChem CID
87597
DTXSID
DTXSID80879615
EC Number
242-234-8
Nikkaji
J266.134I

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
11

Experimental & physicochemical properties

Kovats Retention Index1120；1076

Physicochemical properties

Boiling point
66 °C · 66 °C (8 mmHg)
Density
1.4586 · 1.4586
refractive index
1.4575 · 1.4575-1.4595
Flash point
62 °C · 62 °C
storage temp.
2 · 2-8°C
pka
10.3 · 10.30±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (92.9%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 14 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (92.9%)；Skin Irrit. 2 (92.9%)；Eye Irrit. 2 (92.9%)；STOT SE 3 (92.9%)

Safety data

tsca
TSCA listed
ridadr
1224
hs_code
29141990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS02,GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3,5-Heptanedione, 2,6-dimethyl-: ACTIVE

Applications

UsesMetal chelating agent; preparation of metal diketonates for MOCVD

Uses2,6-Dimethyl-3,5-heptanedione is a metal chelating agent and it is used in the preparation of metal diketonates for Metal-Organic Chemical Vapor Deposition (MOCVD).

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

7 records
New reaction record

Linked notes

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