Isobutyric Acid, Monoester With 2,2,4-trimethylpentane-1,3-diol

2,2,4-Trimethyl-1,3-pentanediol 2-methylpropanoic acid monoester
2,2,4-Trimethyl-1,3-pentanediol mono(2-methylpropanoate)
2,2,4-Trimethyl-1,3-pentanediol monoisobutylate
2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate
Alcohol ester 12
Chissocizer CS 12
Ester 12
GRSHY 1800
Haltanol
Isobutyraldehyde Tishchenko trimer
Isobutyric acid, ester with 2,2,4-trimethyl-1,3-pentanediol
Nexcoat NX 795
Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol
Ruanta C 12
Texanol
Texanol AD 82
Texanol Ester Alcohol
Ucar Filmer IBT

Property	Value
InChI2D key string chemrof:inchi2d_key_string	DAFHKNAQFPVRKR-UHFFFAOYSA-N, NDEMTTVWCLWAQG-UHFFFAOYSA-N, VPJOGDPLXNTKAZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H18O2.C4H8O2/c1-6(2)7(10)8(3,4)5-9;1-3(2)4(5)6/h6-7,9-10H,5H2,1-4H3;3H,1-2H3,(H,5,6)
IUPAC name chemrof:IUPAC_name	2,2,4-Trimethyl-1,3-pentanediol mono(2-methylpropanoate)
Molecular formula chemrof:molecular_formula	C12H24O3, C12H26O4, C24H48O6
SMILES string chemrof:smiles_string	CC(C)C(=O)O.CC(C)C(O)C(C)(C)CO

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=25265-77-4	enrich_references.consensus_cas_link
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:229355	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.000.955	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0629	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID10872295	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184970	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9LJI14453C	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.598J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/45052152	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/62794	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/6490	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q2575511	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27272708	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
5c7d7549-7617-4cd0-8fbe-6e9bdb1ec427	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
92d995ce-7cd1-44fe-9661-9940dc7002db	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
13cf13cf-e570-41a6-add1-10b8b246e9b9	Environmental → Air → Indoor	EF 3.1	kg	4
fb896ffd-0654-4416-8c9a-8b026913ae0c	Environmental → Air → Long-term	EF 3.1	kg	0
7cb42207-2f1d-4cab-9fd2-77efa5fed826	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
a172d3f9-fa3b-4137-91be-b98eec19dfef	Environmental → Air → Unknown	EF 3.1	kg	4
5d673d89-5901-46a9-868d-46fec3815672	Environmental → Ground → Agricultural	EF 3.1	kg	4
61186d58-2b90-495f-a1f1-b837618c27f6	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
a3569573-dcda-4b39-9a7d-eaad86d68593	Environmental → Ground → Unknown	EF 3.1	kg	4
0c819416-49fd-420f-958b-339d3da530b4	Environmental → Water → Long-term	EF 3.1	kg	0
43eb74a8-fe52-46de-9b94-da2c9b6216ea	Environmental → Water → Ocean	EF 3.1	kg	4
667a18c4-d0de-4ffb-8f14-87a45e1e6355	Environmental → Water → Surface water	EF 3.1	kg	4
a7b67f92-8808-4e77-ac37-67df70b28e7b	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Isobutyric Acid, Monoester With 2,2,4-trimethylpentane-1,3-diol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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