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Theaspirane

Theaspirane structure

CAS No:
36431-72-8
Formula:
C13H22O
Chemical Name:
Theaspirane
Synonyms:
1-Oxaspiro[4.5]dec-6-ene,2,6,10,10-tetramethyl-;2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene;Theaspirane
Categories:
Cosmetic Ingredient > Perfuming

Description

Colourless liquid

Theaspirane is a norisoprenoid with forumula C13H22O that is a flavour component found in various essential oils such as raspberry oil and passion fruit oil. It has a role as a fragrance, a flavouring agent and a volatile oil component. It is an oxaspiro compound, a volatile organic compound, a norisoprenoid and an olefinic compound.

Theaspirane Basic Attributes

Molecular Weight：

194.31

Exact Mass：

194.31

EC Number：

253-031-9

DSSTox ID：

DTXSID3047055

Characteristics

PSA：

9.2 Å²

XLogP3：

4.057 (est)

Density：

0.931 g/mL at 25 °C(lit.)

Boiling Point：

68-72 °C3 mm Hg(lit.)

Refractive Index：

n20/D 1.438(lit.)

Water Solubility：

3.796 mg/L @ 25 °C (est)|Insoluble in water, soluble in fats|soluble (in ethanol)

Safety Information

wgk germany：

safety instructions：

24/25

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

2,6,6,10-tetramethyl-1-oxaspiro(4.5)dec-9-ene

Theaspirane Use and Manufacturing

Manufacturing Info：

1-Oxaspiro[4.5]dec-6-ene, 2,6,10,10-tetramethyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:194.31
XLogP3:3
Hydrogen Bond Acceptor Count:1
Exact Mass:194.167065321
Monoisotopic Mass:194.167065321
Topological Polar Surface Area:9.2
Heavy Atom Count:14
Complexity:264
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Theaspirane

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

Theaspirane

CAS No.: 36431-72-8

Content: 99.00%

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Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
2 YRS

Business licensed

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Theaspirane

CAS No.: 36431-72-8

Grade: pharmaceutical grade

Content: 99%

Inquiry
Henan Lihao Chem Plant Limited Contact Supplier

CN
5 YRS

Business licensed

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Theaspirane 99% see COA kanbei

CAS No.: 36431-72-8

Grade: Industrial Grade

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Guide of Theaspirane

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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