HCID87597

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

2,6-dimethylheptane-3,5-dione

C9H16O2156.22 g/molCAS 18362-64-6

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IDENTITY

结构与身份

标准SMILES: CC(C)C(=O)CC(=O)C(C)C
InChIKey: CEGGECULKVTYMM-UHFFFAOYSA-N
分子式: C9H16O2
平均分子量: 156.22 g/mol
单同位素质量: 156.11502975

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 34.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 4
重原子: 11
形式电荷: 0
复杂度: 139

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1120；1076

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Flam. Liq. 3 (92.9%)；Skin Irrit. 2 (92.9%)；Eye Irrit. 2 (92.9%)；STOT SE 3 (92.9%)

USES

用途与制造

来源：PubChem

General Manufacturing Information

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

ALIASES

名称与别名

共 24 条

2,6-Dimethyl-3,5-heptanedione18362-64-63,5-Heptanedione, 2,6-dimethyl-EINECS 242-234-8DTXSID80879615RefChem:91638DTXCID201017624CEGGECULKVTYMM-UHFFFAOYSA-N2,6-Dimethylheptane-3,5-dioneMFCD00015040DiisobutyrylmethaneSCHEMBL1816682,6-dimethyl-3,5-heptandione2,6-dimethyl-heptane-3,5-dioneSBB056494AKOS004115273CS-W017999AS-47892SY010595A4059

REACTIONS