LINALYL ACETATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H20O2
Molecular Weight	196.286
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LINALYL ACETATE

Structure Search

SMILES

CC(=O)OC(C)(CCC=C(C)C)C=C

InChI

InChIKey=UWKAYLJWKGQEPM-UHFFFAOYSA-N

InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3

HIDE SMILES / InChI

Molecular Formula	C12H20O2
Molecular Weight	196.286
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:57:44 UTC 2023` Edited by `admin` on `Fri Dec 15 18:57:44 UTC 2023`
Record UNII	5K47SSQ51G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LINALYL ACETATE

Official Name

English

LINALYL ACETATE [MI]

Common Name

English

LINALYL ACETATE [HSDB]

Common Name

English

LINALYL ACETATE [FHFI]

Common Name

English

LINALYL ACETATE [INCI]

Common Name

English

LINALOOL ACETATE, DL-

Common Name

English

LINALYL ACETATE [FCC]

Common Name

English

LINALYL ACETATE [USP-RS]

Common Name

English

LINALOYL ACETATE, (±)-

Common Name

English

FEMA NO. 2636

Code

English

1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, ACETATE

Systematic Name

English

LINALYL ACETATE, (±)-

Systematic Name

English

BERGAMOL

Common Name

English

NSC-2138

Code

English

Classification Tree Code System Code

EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION

SCCS/1459/11

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

JECFA EVALUATION

LINALYL ACETATE

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

Code System Code Type Description

SMS_ID

100000085822

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

PRIMARY

RS_ITEM_NUM

1366578

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

PRIMARY

PUBCHEM

8294

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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DAILYMED

5K47SSQ51G

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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JECFA MONOGRAPH

360

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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FDA UNII

5K47SSQ51G

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

PRIMARY

RXCUI

1735331

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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MESH

C074463

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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ECHA (EC/EINECS)

204-116-4

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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EVMPD

SUB21632

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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HSDB

644

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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NSC

2138

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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WIKIPEDIA

LINALYL ACETATE

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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MERCK INDEX

m6821

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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Merck Index

EPA CompTox

DTXSID7026946

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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CAS

115-95-7

Created by admin on Fri Dec 15 18:57:44 UTC 2023 , Edited by admin on Fri Dec 15 18:57:44 UTC 2023

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Related Record Type Details


					87L0D4U3M0

PARENT -> CONSTITUENT ALWAYS PRESENT

Interaction Type:

ASSAY (GC)

Amount: