Basic information
- CAS
27593-23-3- Standard SMILES
CCCCCc1cccc(=O)o1- InChIKey
MAUFTTLGOUBZNA-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Overview
6-n-Pentyl-alpha-pyrone is a natural product found in Myrothecium and Trichoderma koningii. It has a role as a metabolite.
Names & identifiers
- Preferred name
- 6-n-pentyl-2H-pyran-2-one
- IUPAC
- 6-pentylpyran-2-one
- English name
- 6-Pentyl-2H-pyran-2-one
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
6-n-pentyl-2h-pyran-2-oneRefChem:5361706-n-PAP6-Pentyl-2H-pyran-2-one27593-23-36-Amyl-alpha-pyrone6-Pentyl-2-pyrone6-pentylpyran-2-one2H-Pyran-2-one, 6-pentyl-6-Amyl-2-pyrone6-PENTYL-ALPHA-PYRONEFEMA No. 3696
Show more names
FEMA 36966-Amyl-α-pyrone6-Amyl-α-pyroneNsc7213616-AMYL-A-PYRONETIMTEC-BB SBB008445
6-Amyl-.alpha.-pyrone6-n-pentyl-alpha-pyroneMFCD00047551DTXSID00475892-Pyrone, 6-pentyl6-pentyl-pyran-2-one5-Hydroxy-2,4-decadienoic acid delta-lactone8JTW8HL4PJ
Database identifiers
- CAS
27593-23-3- PubChem CID
- 33960
- DTXSID
DTXSID0047589- ChEMBL
CHEMBL503899- ChEBI
CHEBI:66729- UNII
- 8JTW8HL4PJ
- EC Number
- 248-552-3
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
- 214
Experimental & physicochemical properties
FragrancesFragrance Ingredient (5-Hydroxy-2,4-decadienoic acid delta-lactone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Boiling Point285.00 to 286.00 °C. @ 760.00 mm Hg
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 230 C · >230 C
- Boiling point
- 93 °C · 93 °C / 0.3mmHg
- Density
- 1.004 g/mL · 1.004 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.505(lit.)
- FEMA
- 3696 · 3696 | 5-HYDROXY-2,4-DECADIENOIC ACID DELTA-LACTONE
- FLAVIS Number
- 10.031 · 10.031 | 6-Pentyl-2H-pyran-2-one
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 59% (79 of 134) of all reports.
Warning
H315 (41%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 134 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2H-Pyran-2-one, 6-pentyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2H-Pyran-2-one, 6-pentyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (41%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2932209090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2H-Pyran-2-one, 6-pentyl-: ACTIVE
Applications
Description5-Hydroxy-2,4-decadienoic acid δ-lactone has a mushroom, bleu cheese lactone or dairy odor.
OccurrenceReported found in peach, grilled beef, fresh plum and nectarine
Uses6-Pentyl-2-pyrone is an antifungal compound found in Trichoderma harzianum and may be important for cellular regulatory functions.
General Description6-Amyl-α-pyrone occurs naturally in peaches. It is also the main volatile organic compound produced by Trichoderma species.
Suppliers68 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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