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5-Methyl-3-butyltetrahydropyran-4-yl acetate

5-Methyl-3-butyltetrahydropyran-4-yl acetate structure

CAS No:
38285-49-3
Formula:
C12H22O3
Chemical Name:
5-Methyl-3-butyltetrahydropyran-4-yl acetate
Synonyms:
Pentitol,1,5-anhydro-2-butyl-2,4-dideoxy-4-methyl-,3-acetate;2H-Pyran-4-ol,3-butyltetrahydro-5-methyl-,acetate;5-Methyl-3-butyltetrahydropyran-4-yl acetate;Jessemal
Categories:
Cosmetic Ingredient > Perfuming

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5-Methyl-3-butyltetrahydropyran-4-yl acetate Basic Attributes

Molecular Weight：

202.292

Exact Mass：

214.30

EC Number：

253-863-2

DSSTox ID：

DTXSID4052057

Characteristics

PSA：

35.5 Å²

Density：

1.0524

Boiling Point：

291°C (estimate)

Refractive Index：

1.4410 (estimate)

Safety Information

GHS Classification：

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 1580 companies from 4 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

5-methyl-3-butyltetrahydropyran-4-yl acetate

5-Methyl-3-butyltetrahydropyran-4-yl acetate Use and Manufacturing

Production

< 25,000 lb

Manufacturing Info：

Pentitol, 1,5-anhydro-2-butyl-2,4-dideoxy-4-methyl-, 3-acetate: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

Computed Properties

Molecular Weight:214.30
XLogP3:2.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:214.15689456
Monoisotopic Mass:214.15689456
Topological Polar Surface Area:35.5
Heavy Atom Count:15
Complexity:203
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Methyl-3-butyltetrahydropyran-4-yl acetate

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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