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2(3H)-Furanone, dihydro-4-methyl-5-pentyl-

HCID 97707
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
33673-62-0
Standard SMILES
CCCCCC1OC(=O)CC1C
InChIKey
LOQFOBUZYRBURV-UHFFFAOYSA-N
Molecular formula
C10H18O2
Average molar mass
170.25 g/mol
Monoisotopic mass
170.13067981

Names & identifiers

Preferred name
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
IUPAC
4-methyl-5-pentyloxolan-2-one
English name
METHYL TUBERATE
Molecular formula
C10H18O2
Molecular weight
170.25

Names & synonyms

2(3H)-Furanone, dihydro-4-methyl-5-pentyl-33673-62-04-Methyl-5-pentyldihydro-2(3H)-furanoneDihydro-4-methyl-5-pentylfuran-2(3H)-oneEINECS 251-629-4NSC 29897Dihydro-4-methyl-5-pentylfuran-2-oneDTXSID70865683RefChem:439883DTXCID00814063251-629-44-methyl-5-pentyloxolan-2-one
Show more names
tuberolideMETHYL TUBERATE3-METHYLNONANO-1,4-LACTONE4-Methyl-5-pentyldihydrofuran-2(3H)-oneDihydro-4-methyl-5-pentylfuran-2(3)-oneDihydro-4-methyl-5-pentylfuran-2(3H)-ondihydro-4-methyl-5-pentyl-2(3h)-furanon
NSC29897SCHEMBL2146282NSC-29897AKOS006271946NS00012250

Database identifiers

CAS
33673-62-0
PubChem CID
97707
DTXSID
DTXSID70865683
EC Number
251-629-4
Nikkaji
J308.517A

Properties

Computed structural properties

XLogP
3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
154

Experimental & physicochemical properties

FragrancesFragrance Ingredient (Dihydro-4-methyl-5-pentylfuran-2(3H)-one) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances

Physicochemical properties

FLAVIS Number
10.052 · 10.052 | 3-Methylnonano-1,4-lactone
Odor
10 % · at 10.00 % in dipropylene glycol. waxy lactonic metallic tuberose plum
Odor Type
floral
Cosmetics Ingredients Functions
PERFUMING
LogP
2.477 · 2.477 (est)
EPA Substance Registry System
2 · 2(3H)-Furanone, dihydro-4-methyl-5-pentyl- (33673-62-0)
TSCA
TSCA listed

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 · 3 items

This chemical does not meet GHS hazard criteria for 100% (146 of 146) of all reports.

Not Classified

Aggregated GHS information provided per 146 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 2(3H)-Furanone, dihydro-4-methyl-5-pentyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2(3H)-Furanone, dihydro-4-methyl-5-pentyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2(3H)-Furanone, dihydro-4-methyl-5-pentyl-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

Use ClassificationFragrance Ingredients
General Manufacturing Information2(3H)-Furanone, dihydro-4-methyl-5-pentyl-: ACTIVE

Suppliers13 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
吉良化学21-62165282 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
康迪斯化工(湖北)有限公司13125172151 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
BOC Sciences[email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
广州远达新材料有限公司19849939632 19849939632 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
DAYANG CHEM (HANGZHOU) CO.,LTD
+86-88938639 +86-17705817739 · [email protected]
武汉青衫合源生物科技有限公司027-18327024450 18327024450 · [email protected]