4-Acetoxy-3-pentyltetrahydropyran
Basic information
- CAS
18871-14-2- Standard SMILES
CCCCCC1COCCC1OC(C)=O- InChIKey
VSRVCSJJKWDZSH-UHFFFAOYSA-N- Molecular formula
- C12H22O3
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.15689456
Overview
a fragrance compound; structure in first source
Names & identifiers
- Preferred name
- 4-Acetoxy-3-pentyltetrahydropyran
- IUPAC
- (3-pentyloxan-4-yl) acetate
- English name
- JASMAL
- Molecular formula
- C12H22O3
- Molecular weight
- 214.3
Names & synonyms
18871-14-2JasmopyraneTetrahydro-3-pentyl-2H-pyran-4-yl acetatePentitol, 1,5-anhydro-2,4-dideoxy-2-pentyl-, 3-acetate2H-Pyran-4-ol, tetrahydro-3-pentyl-, acetate3-Amyl-4-acetoxytetrahydropyran4-Acetoxy-3-pentyltetrahydropyranDTXSID704455630E3255185JASMOPYRANE FORTERefChem:97605DTXCID5024556
Show more names
DRAGOJASIMIAherbal pyranJasmin FuranJasmyl acetatejasmopyrane (Givaudan)Jasmopyrane Forte 6347541
3,4,5,6-tetrahydro-3-pentyl-2h-pyran-4-yl acetate242-640-5Jasmal(3-pentyloxan-4-yl) acetate3-o-acetyl-1,5-anhydro-2,4-dideoxy-2-pentylpentitolJasmophyll3-Pentyl-4-acetyl-oxytetrahydro-2H-pyranEINECS 242-640-5
Database identifiers
- CAS
18871-14-2- PubChem CID
- 86799
- DTXSID
DTXSID7044556- EC Number
- 242-640-5
- Nikkaji
- J87.360H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (4-Acetoxy-3-pentyltetrahydropyran) -> IFRA transparency List
Physical DescriptionCBI; Liquid
Physicochemical properties
- Boiling point
- 278.1 · 278.1±33.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- vapor pressure
- 0.49 Pa · 0.49Pa at 24℃
- Odor
- 100 % · at 100.00 %. floral herbal oily green jasmin mushroom lactonic
- Odor Type
- floral
- Water Solubility
- 214.9 mg/L · 214.9mg/L at 24℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.2 at · 3.2 at 25℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 30 E3255185 · 30E3255185
- EPA Substance Registry System
- 2 H-Pyran-4-ol, · 2H-Pyran-4-ol, tetrahydro-3-pentyl-, acetate (18871-14-2)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 7.9% (147 of 1855) of reports.
Warning
H319 (21.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1855 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2H-Pyran-4-ol, tetrahydro-3-pentyl-, acetate
Pentitol, 1,5-anhydro-2,4-dideoxy-2-pentyl-, 3-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentitol, 1,5-anhydro-2,4-dideoxy-2-pentyl-, 3-acetate 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: Tetrahydro-3-pentyl-2H-pyran-4-yl acetate (EC: 242-640-5)
2H-Pyran-4-ol, tetrahydro-3-pentyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (21.1%)
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 8 consumer products that contain Jasmopyrane in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Pentitol, 1,5-anhydro-2,4-dideoxy-2-pentyl-, 3-acetate: ACTIVE
Applications
UsesJasmal is a tetrahydropyranyl acetate compound that has a plant-like floral jasmin odour, and is regularly used in perfume and soap formulations.
Suppliers
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Related reactions
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Compound notes
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