Α,α-dimethyl-ethyl Ester Benzeneacetic Acid

Benzeneacetic acid, α,α-dimethyl-, ethyl ester
Ethyl 2-methyl-2-phenylpropanoate
Ethyl 2-methyl-2-phenylpropionate
Ethyl 2-phenylisobutyrate
Ethyl dimethylphenylacetate
Ethyl α,α-dimethylbenzeneacetate
Ethyl α,α-dimethylphenylacetate
Hydratropic acid, α-methyl-, ethyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	OFYSAFPKXXTYLU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H16O2/c1-4-14-11(13)12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name	Benzeneacetic acid, α,α-dimethyl-, ethyl ester
Molecular formula chemrof:molecular_formula	C12H16O2
Molecular mass chemrof:molecular_mass	192.258
Monoisotopic mass chemrof:monoisotopic_mass	192.11503
SMILES string chemrof:smiles_string	CCOC(=O)C(C)(C)c1ccccc1

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=2901-13-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.132.860	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID90282994	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=29060	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J559.586J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/232036	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q72474564	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d59690e7-f760-47b0-9541-29fdd17d3955	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
daa9dc45-5f0e-49d0-8130-73ab221b426b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
d1b9b964-d38b-44d8-a33f-e636fed1aabd	Environmental → Air → Indoor	EF 3.1	kg	2
249b11e5-da40-4ca7-a387-83f4130adcec	Environmental → Air → Long-term	EF 3.1	kg	0
e3bd6408-f5e4-4e4a-b9ef-abbac5918c75	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
6360b546-3a0a-45ad-964d-9c41c43b5411	Environmental → Air → Unknown	EF 3.1	kg	2
6e118492-09db-4b13-916a-00e8923e51ce	Environmental → Ground → Agricultural	EF 3.1	kg	2
803353ee-afa7-40fe-b050-248a00e3adb6	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
89dc4416-9f17-47ad-8560-28e2f6622497	Environmental → Ground → Unknown	EF 3.1	kg	2
54485a42-1dcb-437d-b30f-0ce45d02b0b6	Environmental → Water → Long-term	EF 3.1	kg	0
8f7e70ae-3b45-43ce-a33f-b3833fb641c1	Environmental → Water → Ocean	EF 3.1	kg	2
143d77ee-77b1-4d53-942d-747d63b060f0	Environmental → Water → Surface water	EF 3.1	kg	2
7bfee5db-dcbf-4214-ab09-68f792db8a3f	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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Α,α-dimethyl-ethyl Ester Benzeneacetic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

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