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36431-72-8

36431-72-8 Structure

36431-72-8 Structure
IdentificationMore
[Name]

2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene
[CAS]

36431-72-8
[Synonyms]

2,6,10,10-TETRAMETHYL-1-OXASPIRO[4.5]DEC-6-ENE
2,6,10,10-TETRAMETHYL-1-OXASPIROL[4,5]DEC-6-ENE
FEMA 3774
spiroxide
THEASPIRAN
(+/-)-THEASPIRANE
THEASPIRANE
2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-en
THEASPIRANE 85+% MIXTURE OF CIS AND TR
1-Oxaspiro4.5dec-6-ene, 2,6,10,10-tetramethyl-
(+-)-THEASPIRANE TECHN.
(±)-Theaspirane, 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene
1-Oxa-2,6,10,10-tetramethylspiro[4.5]dec-6-ene
[EINECS(EC#)]

253-031-9
[Molecular Formula]

C13H22O
[MDL Number]

MFCD00085214
[Molecular Weight]

194.31
[MOL File]

36431-72-8.mol
Chemical PropertiesBack Directory
[Boiling point ]

68-72 °C3 mm Hg(lit.)
[density ]

0.931 g/mL at 25 °C(lit.)
[FEMA ]

3774
[refractive index ]

n20/D 1.438(lit.)
[Fp ]

195 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Colourless
[Odor]

at 1.00 % in dipropylene glycol. tea herbal green wet tobacco leaf metallic woody spicy
[biological source]

synthetic
[Odor Type]

herbal
[JECFA Number]

1238
[BRN ]

1424383
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3
[InChIKey]

GYUZHTWCNKINPY-UHFFFAOYSA-N
[SMILES]

CC1CCC2(O1)C(C)=CCCC2(C)C
[LogP]

4.14
[CAS DataBase Reference]

36431-72-8(CAS DataBase Reference)
[EPA Substance Registry System]

36431-72-8(EPA Substance)
Questions And AnswerBack Directory
[Uses]

1. Found in tobacco leaves. 2. Naturally found in yellow passion fruit, osmanthus, and raspberry. 3. The tea-scented spiroane in tobacco comes from the degradation of carotene. 4. It has two isomers: one with a woody, camphor-like aroma, and the other with a naphthalene-like odor.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

2
[TSCA ]

TSCA listed
[HS Code ]

2932190090
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Description]

Theaspirane is a pale yellow liquid, soluble in alcohol or propylene glycol. It has a typical black tea aroma, sweet taste, and mixed aroma characteristics such as fruity and woody aromas. Theaspirane is a high-grade monomeric fragrance widely used internationally.
[Chemical Properties]

Theaspirane is fruity, woody, sweetish and ionone-like camphoraceous.
[Occurrence]

Reported found in Vitis vinifera L., raspberry (Rubus idaecus L.), white wine, black tea, yellow passion fruit juice, yellow passion fruit, grape, quince, cherimoya (Annona cherimola) and black chokeberry (Aronia melanocarpa Ell.).
[Characteristics]

1. Found in tobacco leaves.
2. Naturally present in yellow egg fruit, sweet-scented osmanthus, raspberry.
3. The tea spiro in tobacco comes from the degradation of carotene.
4. There are two isomers, one is woody, camphor aroma, and the other is naphthalene-like smell.
[Definition]

ChEBI: 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.
[Aroma threshold values]

Aroma characteristics at 1.0%: cooling minty, woody pine-like, mentholic, camphorous with a slight green ethereal nuance.
[Taste threshold values]

Taste characteristics at 10 ppm: cooling green, mentholic, woody pine and cedar-like with an herbal nuance.
[Synthesis Reference(s)]

Tetrahedron Letters, 26, p. 4637, 1985 DOI: 10.1016/S0040-4039(00)98772-0
[Biochem/physiol Actions]

Odor at 1.0%
Spectrum DetailBack Directory
[Spectrum Detail]

2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene(36431-72-8)1HNMR
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene(36431-72-8)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

36431-72-8(sigmaaldrich)
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