Basic information
- CAS
22457-23-4- Standard SMILES
CCC(CC(C)CC)=NO- InChIKey
CBVWMGCJNPPAAR-UHFFFAOYSA-N- Molecular formula
- C8H17NO
- Average molar mass
- 143.23 g/mol
- Monoisotopic mass
- 143.13101417
Names & identifiers
- Preferred name
- 3-Methyl-5-heptanone oxime
- IUPAC
- N-(5-methylheptan-3-ylidene)hydroxylamine
- English name
- 5-Methyl-3-heptanone oxime
- Molecular formula
- C8H17NO
- Molecular weight
- 143.23
Names & synonyms
5-Methylheptan-3-one oximeStemone5-Methyl-3-heptanone oxime22457-23-43-Heptanone, 5-methyl-, oxime3-Methyl-5-heptanone oximeEthyl 2-methylbutyl ketoximeEthyl 2-methylbutyl ketoxineEINECS 245-010-8XHN6C9A7U3NSC 166310BRN 1923529
Show more names
Stemon[R]leafy oximeStemone 90235015-Methylheptan-3-onoximMethyl-3-heptanoneoxime5-methyl-3-heptanonoxime3-Methyl-5-heptanoneoximeETHYL METHYLBUTYL KETOXIME
NSC-166310RefChem:503972N-(5-methylheptan-3-ylidene)hydroxylamineUNII-XHN6C9A7U35-methyl-heptan-3-one oximeSCHEMBL113135DTXSID9051874N-(5-Methyl-3-heptanylidene)hydroxylamine
Database identifiers
- CAS
22457-23-4- PubChem CID
- 90787
- DTXSID
DTXSID9051874- UNII
- XHN6C9A7U3
- EC Number
- 245-010-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
FragrancesFragrance Ingredient (5-Methyl-3-heptanone oxime) -> IFRA transparency List
Physical DescriptionLiquid; CBI
Physicochemical properties
- Boiling point
- 261.35 °C · 261.35°C (rough estimate)
- Density
- 0.9636 · 0.9636 (rough estimate)
- vapor pressure
- 5.32 Pa · 5.32Pa at 20℃
- refractive index
- 1.4614 · 1.4614 (estimate)
- pka
- 12.42 · 12.42±0.10(Predicted)
- Odor
- 100 % · at 100.00 %. galbanum fig leaf green weedy cortex
- Odor Type
- green
- Water Solubility
- 1.06 g/L · 1.06g/L at 20℃
- Cosmetics Ingredients Functions
- FRAGRANCEPERFUMING
- InChI
- InChI=1S/C8H17NO/c1-4-7(3)6-8(5-2)9-10/h7,10H,4-6H2,1-3H3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 18.3% (302 of 1648) of reports.
Warning
H319 (78.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1648 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3-Heptanone, 5-methyl-, oxime
3-Heptanone, 5-methyl-, oxime is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Heptanone, 5-methyl-, oxime are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 5-methylheptan-3-one oxime (EC: 245-010-8)
3-Heptanone, 5-methyl-, oxime: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (78.3%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 7 consumer products that contain Ethyl Methylbutyl Ketoxime in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
3-Heptanone, 5-methyl-, oxime: ACTIVE
Applications
UsesStemone is a compound that has a leafy, green, fresh odour, and is commonly used in perfume formulations.
Suppliers51 total
江西益众化工有限公司15307925109 15350027073 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
山东飞扬化工有限公司
Related reactions
1 records
Compound notes
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