Số CAS
541-85-5

Công thức phân tử
C8H16O

SMILES
CCC(C)CC(=O)CC

Chỉ số lưu (RI)

• DB5: 948.5
• Carbowax: 1266.0

XLogP3-AA
2.2 Tan tốt trong DEP, BB, MMB

Khối lượng phân tử
128.21 g/mol

Nhiệt độ tan chảy

• -70 °F (NIOSH, 2024)
• -56.7 °C
• -70 °F

Nhiệt độ sôi

• 315 °F at 760 mmHg (NIOSH, 2024)
• 157-162 °C
• 315 °F

Nhiệt độ chớp cháy

• 138 °F (NIOSH, 2024)
• 43 °C c.c., 57.2 °C o.c.
• 138 °F

Độ tan

• Insoluble (NIOSH, 2024)
• Solubility in water, g/100ml at 20 °C: 0.3
• Insoluble

Odor	Probability
alcoholic	9.455727%
aldehydic	15.942065%
alliaceous	3.9356604%
almond	9.0154186%
amber	3.703635%
animal	11.8831374%
anisic	10.37755%
apple	28.659284%
apricot	16.247341%
aromatic	8.793174%
balsamic	7.777544%
banana	32.80944%
beefy	3.68074%
bergamot	9.194036%
berry	26.86769%
bitter	12.949835%
black currant	11.517109%
brandy	11.984875%
burnt	12.981649%
buttery	17.120954%
cabbage	5.2010406%
camphoreous	19.883434%
caramellic	20.012112%
cedar	4.7022484%
celery	14.085495%
chamomile	17.887418%
cheesy	43.837136%
cherry	14.479041%
chocolate	15.104301%
cinnamon	5.832239%
citrus	20.72684%
clean	9.244721%
clove	6.3300565%
cocoa	15.427747%
coconut	14.571686%
coffee	5.9532136%
cognac	10.119371%
cooked	6.863538%
cooling	16.86726%
cortex	9.518303%
coumarinic	6.0940214%
creamy	23.359129%
cucumber	3.7986614%
dairy	24.907155%
dry	16.303673%
earthy	26.622614%
ethereal	35.39091%
fatty	30.642375%
fermented	26.826245%
fishy	6.267972%
floral	30.96996%
fresh	38.986474%
fruit skin	12.71934%
fruity	91.39873%
garlic	2.3610786%
gassy	7.752359%
geranium	7.241583%
grape	17.5374%
grapefruit	8.644178%
grassy	18.131015%
green	49.365625%
hawthorn	5.0902866%
hay	15.780446%
hazelnut	8.958851%
herbal	66.68848%
honey	10.884132%
hyacinth	4.9352713%
jasmin	14.832844%
juicy	15.486728%
ketonic	52.60292%
lactonic	10.6554605%
lavender	20.602834%
leafy	16.980642%
leathery	7.028159%
lemon	10.402995%
lily	6.5058604%
malty	8.914487%
meaty	6.791593%
medicinal	11.4598796%
melon	13.419448%
metallic	19.389804%
milky	11.69199%
mint	35.12469%
muguet	3.0553032%
mushroom	17.26918%
musk	5.83855%
musty	29.091364%
natural	13.737252%
nutty	19.059893%
odorless	2.3436168%
oily	35.954395%
onion	3.4661733%
orange	14.149302%
orangeflower	3.9422266%
orris	10.210117%
ozone	4.0323507%
peach	15.779264%
pear	17.545041%
phenolic	12.348126%
pine	8.290893%
pineapple	22.406507%
plum	15.089564%
popcorn	3.518276%
potato	5.6866806%
powdery	6.785297%
pungent	25.97989%
radish	8.509431%
raspberry	11.745264%
ripe	18.89036%
roasted	7.252011%
rose	15.516214%
rummy	18.791577%
sandalwood	2.396546%
savory	6.185167%
sharp	18.3952%
smoky	4.0341567%
soapy	11.3219544%
solvent	17.811118%
sour	23.244545%
spicy	32.501397%
strawberry	10.4247175%
sulfurous	3.778507%
sweaty	16.956978%
sweet	63.445985%
tea	13.110137%
terpenic	7.6955624%
tobacco	13.173048%
tomato	8.2734786%
tropical	19.905213%
vanilla	5.9659738%
vegetable	18.059747%
vetiver	3.5430606%
violet	4.0055096%
warm	17.390922%
waxy	15.591638%
weedy	18.461493%
winey	25.672358%
woody	24.630556%

* Tạo bởi Scent© AI

• 5-Methylheptan-3-one
• 5-METHYL-3-HEPTANONE
• 541-85-5
• 3-Heptanone, 5-methyl-
• Ethyl 2-methylbutyl ketone
• Ethyl sec-amyl ketone
• 3-Methyl-5-heptanone
• 2-Methylbutyl ethyl ketone
• DTXSID9047047
• 9RQ13D247K
• NSC-100734
• EINECS 208-793-7
• NSC 100734
• BRN 0506345
• UNII-9RQ13D247K
• starbld0016504
• 5-Methylheptanone-(3)
• EC 208-793-7
• 4-01-00-03344 (Beilstein Handbook Reference)
• SCHEMBL104058
• DTXCID7027047
• CHEBI:195858
• WLN: 2Y1&1V2
• 5-METHYL-3-HEPTANONE [MI]
• Tox21_303912
• BBL011426
• LMFA12000112
• MFCD00009340
• NSC100734
• STL146533
• AKOS000121337
• AKOS016843699
• (+/-)-5-METHYL-3-HEPTANONE
• 5-Methyl-3-heptanone, >=94% (GC)
• NCGC00357162-01
• CAS-541-85-5
• VS-02946
• DB-052510
• M0335
• NS00007462
• EN300-17630
• InChI=1/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H