(S)-(+)-3-octanol (Q27765319)

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chemical compound

• (S)-3-octanol
• (+)-3-octanol

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Language	Label	Description	Also known as
English	(S)-(+)-3-octanol	chemical compound	(S)-3-octanol (+)-3-octanol

Statements

instance of

type of chemical entity

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subclass of

3-octanol

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mass

130.135765196 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(R)-(-)-3-octanol

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based on heuristic

inferred from InChI

chemical formula

C₈H₁₈O

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canonical SMILES

OC(CC)CCCCC

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isomeric SMILES

CCCCC[C@H](CC)O

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found in taxon

Myrmica scabrinodis

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stated in

Comparison of three derivatives for the enantiomeric separation of chiral alcohols and the absolute configuration of Myrmica ant 3-octanol

Myrmica ruginodis

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stated in

Comparison of three derivatives for the enantiomeric separation of chiral alcohols and the absolute configuration of Myrmica ant 3-octanol

Myrmica rubra

1 reference

stated in

Comparison of three derivatives for the enantiomeric separation of chiral alcohols and the absolute configuration of Myrmica ant 3-octanol

Capillipedium parviflorum

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stated in

Volatile constituents of Capillipedium parviflorum

Mentha pulegium

1 reference

stated in

Etudes sur les matières végétales volatiles XXIII. Présence du n-octanol-(3) et de son ester acétique dans l'essence de menthe pouliot (Mentha PulegiumL.)

Acca sellowiana

1 reference

stated in

Compositional Analysis and Aroma Evaluation of Feijoa Essential Oils from New Zealand Grown Cultivars

Rosmarinus officinalis

1 reference

stated in

Phytochemical Profiling of Flavonoids, Phenolic Acids, Terpenoids, and Volatile Fraction of a Rosemary (Rosmarinus officinalis L.) Extract.

tomato

1 reference

stated in

Secretions from the ventral eversible gland of Spodoptera exigua caterpillars activate defense-related genes and induce emission of volatile organic compounds in tomato, Solanum lycopersicum

Perilla frutescens

1 reference

stated in

Characteristic aroma-active compounds of Korean perilla (Perilla frutescens Britton) leaf

soybean

1 reference

stated in

Volatiles from the foliage of soybean, Glycine max, and lima bean, Phaseolus lunatus: their behavioral effects on the insects Trichoplusia ni and Epilachna varivestis

basil

1 reference

stated in

Drying Method Affects Essential Oil Content and Composition of Basil (Ocimum basilicum L.)

Nicotiana tabacum

1 reference

stated in

A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr

Identifiers

InChI

InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1

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InChIKey

NMRPBPVERJPACX-QMMMGPOBSA-N

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CAS Registry Number

22658-92-0

1 reference

InChIKey

NMRPBPVERJPACX-QMMMGPOBSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=22658-92-0

PubChem CID

6999002

1 reference

matched by identifier from

InChIKey

InChIKey

NMRPBPVERJPACX-QMMMGPOBSA-N

UniChem compound ID

2985098

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID40426427

1 reference

matched by identifier from

InChIKey

InChIKey

NMRPBPVERJPACX-QMMMGPOBSA-N

DSSTOX compound identifier

DTXCID20377261

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EC number

627-983-4

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stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.156.295

retrieved

27 December 2018

title

(3S)-octan-3-ol (English)

quotation

CAS no.: 22658-92-0 (English)

ECHA Substance Infocard ID

100.156.295

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.156.295

retrieved

27 December 2018

title

(3S)-octan-3-ol (English)

quotation

CAS no.: 22658-92-0 (English)

Nikkaji ID

J56.250E

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LIPID MAPS ID

LMFA05000492

1 reference

stated in

LIPID MAPS

reference URL

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

J-GLOBAL ID

200907099812752703

0 references

 

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