(1-Hydroxymethylcyclopropyl)acetic acid methyl ester

HCID 29941748CAS 142148-13-8
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)CC1(CO)CC1
InChIKey
RCEKMFFZANHPNW-UHFFFAOYSA-N
Molecular formula
C7H12O3
Average molar mass
144.17 g/mol
Monoisotopic mass
144.07864424

Names & identifiers

Preferred name
(1-Hydroxymethylcyclopropyl)acetic acid methyl ester
IUPAC
methyl 2-[1-(hydroxymethyl)cyclopropyl]acetate
English name
(1-Hydroxymethyl-cyclopropyl)-acetic acid methyl ester
Molecular formula
C7H12O3
Molecular weight
144.17

Names & synonyms

(1-Hydroxymethylcyclopropyl)acetic acid methyl esterRefChem:392231604-276-9142148-13-8Methyl 2-[1-(hydroxymethyl)cyclopropyl]acetateMethyl (1-hydroxymethylcyclopropyl)acetatemethyl 2-(1-(hydroxymethyl)cyclopropyl)acetate(1-Hydroxymethyl-cyclopropyl)-acetic acid methyl esterMFCD09833495Methyl 1-(hydroxymethyl)cyclopropaneacetateCyclopropaneacetic acid, 1-(hydroxymethyl)-, methyl esterMethyl [1-(hydroxymethyl)cyclopropyl]acetate
Show more names
SCHEMBL1484429DTXSID60652342RCEKMFFZANHPNW-UHFFFAOYSA-NAKOS006328741DA-16868SY453051EN300-199276G15216

Database identifiers

CAS
142148-13-8
PubChem CID
29941748
DTXSID
DTXSID60652342
EC Number
604-276-9

Properties

Computed structural properties

XLogP
0
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
10

Physicochemical properties

Boiling point
198.1 · 198.1±13.0 °C(Predicted)
Density
1.128 · 1.128±0.06 g/cm3(Predicted)
pka
15.1 · 15.10±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H335-H302+H312+H332-H315

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code
2918199890
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H335-H302+H312+H332-H315
Precautionary statements
P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers17 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]

Related reactions

20 records
New reaction record

Linked notes

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