3-METHYL-1-PENTANOL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H14O
Molecular Weight	102.1748
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYL-1-PENTANOL

SMILES

CCC(C)CCO

InChI

InChIKey=IWTBVKIGCDZRPL-UHFFFAOYSA-N

InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C6H14O
Molecular Weight	102.1748
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

PubMed

PubMed

Show entries

Title	Date	PubMed
Metabolic engineering for production of biorenewable fuels and chemicals: contributions of synthetic biology.	2010	20414363
Fragrance material review on 3-methyl-1-pentanol.	2010 Jul	20659646
Male and female noctuid moths attracted to synthetic lures in Europe.	2010 Jun	20449640

Showing 1 to 3 of 3 entries

Substance Class	Chemical
Record UNII	N8W93SI0FS
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

3-METHYL-1-PENTANOL

Systematic Name

English

(±)-3-METHYL-1-PENTANOL

Systematic Name

English

3-ETHYL-1-BUTANOL

Systematic Name

English

(DL)-3-METHYLPENTYL ALCOHOL

Common Name

English

FEMA NO. 3762

Code

English

Showing 1 to 5 of 8 entries

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

3-METHYL-1-PENTANOL

Showing 1 to 1 of 1 entries

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Code System

Code

Type

Description

ECHA (EC/EINECS)

209-644-9

PRIMARY

NSC

9466

PRIMARY

JECFA MONOGRAPH

417

PRIMARY

MESH

C481840

PRIMARY

PUBCHEM

11508

PRIMARY

Showing 1 to 5 of 9 entries

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