U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C8H18O2
Molecular Weight 146.2273
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHOHEXADIOL

SMILES

CCCC(O)C(CC)CO

InChI

InChIKey=RWLALWYNXFYRGW-UHFFFAOYSA-N
InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3

HIDE SMILES / InChI

Description
Curator's Comment: Description was created based on several sources, including http://www.genome.jp/dbget-bin/www_bget?C14271 and http://lib.dr.iastate.edu/cgi/viewcontent.cgi?article=2100&context=rtd

Etohexadiol (or ethohexadiol) is an ectoparasiticide. It is a liquid aliphatic alcohol, EHD is widely used industrially, commercially and domestically for purposes that include a component of cosmetic formulations, in certain medicinal products, as a solvent, a chelating agent, a reactive diol, an intermediate and formerly an insect repellent. Etohexadiol, also known as Rutgers 612 or "6-12 repellent," discontinued in the US in 1991 due to evidence of causing developmental defects in animals.

CNS Activity

CNS Active
3913
Curator's Comment: Ingestion of large amounts may cause CNS depression.

Approval Year

2013
596
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Approved
8429
Rutgers 612

Approved Use

Used to prevent blood-feeding arthropods from biting
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer
MATE1
306

MATE2
263
Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
MATE2
263
 yes [IC50 >1000 uM]
MATE1
308
 yes [IC50 >2000 uM]
Sourcing

Sourcing

Vendor/AggregatorIDURL
001 Chemical
DY581402
https://www.001chemical.com/chem/94-96-2
3B Scientific (Wuhan) Corp
3B3-033240
http://www.3bsc.com/index/pro_info.php?id=54504
AHH Chemical co.,ltd
MT-34452
http://www.ahhchemical.com/product/MT-34452.html
AK Scientific, Inc. (AKSCI)
S173
http://www.aksci.com/item_detail.php?cat=S173
Aaron Chemicals
AR0033ZK
http://www.aaronchem.com/94-96-2
Acadechem
ACDS-033537
http://www.acadechemical.com/product/108236
Achemtek
0104-011909
http://www.achemtek.com/94-96-2
Acorn PharmaTech
ACN-043690
http://www.acornpharmatech.com/
Acros Organics
AC118510010
https://www.fishersci.com/shop/products/2-ethyl-1-3-hexanediol-mixture-isomers-99-acros-organics/AC118510010
Acros Organics
AC118512500
https://www.fishersci.com/shop/products/2-ethyl-1-3-hexanediol-mixture-isomers-99-acros-organics/AC118512500
Alfa Aesar
A10898
https://www.alfa.com/en/catalog/A10898/
Alfa Chemistry
94-96-2
https://www.alfa-chemistry.com/cas_94-96-2.htm
Alichem
490013640
http://www.alichem.com/en/products/94-96-2.html
Ambinter
Amb2583236
http://www.ambinter.com/reference/2583236
Angene
AGN-PC-0JK7ZA
http://www.angenechemical.com/productshow/AGN-PC-0JK7ZA.html
Anward
ANW-42033
http://www.anward.com/pro_result/6958
ChemMol
49417106
http://www.chemmol.com/chemmol/49417106.html
Clearsynth
CS-T-77449
https://www.clearsynth.com/en/CST77449.html
Finetech
FT-0612228
http://www.finetechnology-ind.com/prod/detail/pub/94-96-2.html
Glentham Life Sciences
GK3382
http://www.glentham.com/products/product/GK3382/
Hairui
HR137485
http://www.hairuichem.com/en/product/94-96-2.html
LGC Standards
DRE-C13340000
https://www.lgcstandards.com/US/en/p/DRE-C13340000
Molcore
MC581402
https://www.molcore.com/product/94-96-2
Parchem
37791
https://www.parchem.com/chemical-supplier-distributor/Ethohexadiol--037791.aspx
Sigma-Aldrich
E29125_ALDRICH
https://www.sigmaaldrich.com/catalog/product/aldrich/e29125?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich
PS102_SUPELCO
https://www.sigmaaldrich.com/catalog/product/supelco/ps102?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sinfoo Biotech
S017880
http://www.sinfoobiotech.com/product/1021278
Smolecule
S589082
https://www.smolecule.com/products/s589082
TCI (Tokyo Chemical Industry)
E0119
http://www.tcichemicals.com/eshop/en/us/commodity/E0119/index.html
THE BioTek
bt-298637
https://www.thebiotek.com/product/others/bt-298637
VladaChem
VL170049
https://www.vladachem.com/product.php?products=94-96-2
VladaChem
VL267464-1L
https://www.vladachem.com/product.php?products=94-96-2
Yuhao Chemical
LQ0253
http://www.chemyuhao.com/94-96-2.html
abcr GmbH
AB116541
http://www.abcr.com/shop/en/AB116541
iChemical
EBD34393
http://www.ichemical.com/chemicals/cas-94-96-2
mcule
MCULE-4462593004
https://mcule.com/MCULE-4462593004/
PubMed

PubMed

TitleDatePubMed
Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.
2003 Oct
[Resolution of clenbuterol hydrochloride enantiomers by thin-layer chromatography on silica gel impregnated with beta-cyclodextrin].
2005 Jul
2-Ethyl-1,3-hexanediol.
2005 May-Jun
Effective insect repellent formulation in both surfactantless and classical microemulsions with a long-lasting protection for human beings.
2009 Jun
Intralaboratory and interlaboratory evaluation of the EpiDerm 3D human reconstructed skin micronucleus (RSMN) assay.
2009 Mar 17
Patents

Patents

06943144
1
JP2000290548A
1
JP2004059913A
1
JP2006256966A
1
JP4795431B2
1
JPH02147695A
1
JPH023602A
1
JPS5962662A
1

Sample Use Guides

In Vivo Use Guide
Applied to the skin or clothing topically
Route of Administration: Topical
In Vitro Use Guide
A forward gene mutation test was conducted in Chinese Hamster ovary (CHO) cells (HGPT locus) using a dose range of 1.0-4.5 mg/ml
Name Type Language
ETHOHEXADIOL
HSDB   MART.   MI   WHO-DD  
Common Name English
6-12 INSECT REPELLENT
Brand Name English
ETHYL HEXANEDIOL [INCI]
Common Name English
NSC-3881
Code English
1,3-HEXANEDIOL, 2-ETHYL-
Systematic Name English
REPELLENT 612
Brand Name English
ETHYL HEXANEDIOL
INCI  
INCI  
Official Name English
ETHOHEXADIOL [HSDB]
Common Name English
ETOHEXADIOL
Common Name English
ETHOHEXADIOL [MART.]
Common Name English
2-ETHYL-1,3-HEXANEDIOL
Systematic Name English
(2RS,3RS;2RS,3SR)-2-ETHYLHEXANE-1,3-DIOL
Common Name English
Ethohexadiol [WHO-DD]
Common Name English
ETHOHEXADIOL [MI]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 41001
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
WHO-VATC QP53GX04
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
NCI_THESAURUS C737
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
WHO-ATC P03BX05
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
WHO-ATC P03BX06
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
Code System Code Type Description
NSC
3881
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
MERCK INDEX
m5067
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY Merck Index
DRUG CENTRAL
4774
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
DRUG BANK
DB13826
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
FDA UNII
M9JGK7U88V
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
ALANWOOD
ethohexadiol
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
PUBCHEM
7211
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
HSDB
1716
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
NCI_THESAURUS
C75642
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID4025292
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
RXCUI
1362891
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY RxNorm
ChEMBL
CHEMBL1451179
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-377-9
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
WIKIPEDIA
ETOHEXADIOL
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
DAILYMED
M9JGK7U88V
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
CAS
94-96-2
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
MESH
C004917
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
EVMPD
SUB13738MIG
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
SMS_ID
100000078969
Created by admin on Fri Dec 15 15:21:59 GMT 2023 , Edited by admin on Fri Dec 15 15:21:59 GMT 2023
PRIMARY
ACTIVE MOIETY
Structure of ETHOHEXADIOL
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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