Glyceryl Allyl Ether (HCID 78950)

이름 및 식별자

우선 이름: Glyceryl Allyl Ether
IUPAC: 3-prop-2-enoxypropane-1,2-diol
현지명: 3-(알릴옥시)-1,2-프로판디올
영어명: 3-Allyloxy-1,2-propanediol
분자식: C6H12O3
분자량: 132.16

이름 및 동의어

3-Allyloxy-1,2-propanediol123-34-23-(Allyloxy)propane-1,2-diolGlycerol 1-allyletherglyceryl allyl ether3-(Allyloxy)-1,2-propanediolGlycerol alpha-monoallyl etherEther, allyl glycerylGlycerin 1-allyl ether3-(Allyloxy)propanediol3-(2-Propenyloxy)-1,2-propanediol1-Allyloxy-2,3-propanediol

이름 더 보기

3-(알릴옥시)-1,2-프로판디올글리세릴알릴에터GAE3-AL-Allylglyceroetherether,allylglyceryloxy-1,2-propanedioLglycerin1-allyletherGlycerin allyl ether

1,2-Propanediol, 3-(2-propen-1-yloxy)-Glycerol alpha-allyl etherGlycerol 1-allyl etheralpha-Allyl glycerol ether1,2-Propanediol, 3-(2-propenyloxy)-NSC 59722DTXSID4044375Glycerol .alpha.-monoallyl ether

데이터베이스 식별자

CAS: 123-34-2
PubChem CID: 78950
DTXSID: DTXSID4044375
ChEMBL: CHEMBL3182656
UNII: 085RW4Y3PU
EC Number: 204-620-4
Nikkaji: J36.836I

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 9
형식 전하: 0
복잡도: 72.7

실험 및 물리화학적 성질

CosmeticsCosmetic ingredients (Glyceryl Allyl Ether) -> CIR (Cosmetic Ingredient Review)

물리화학적 성질

녹는점: -100 °C · -100 °C
끓는 점: 142 °C28 · 142 °C28 mm Hg(lit.)
밀도: 1.068 g/mL · 1.068 g/mL at 25 °C(lit.)
증기압: 0.004 hPa · 0.004 hPa (20 °C)
굴절률: 20 · n20/D 1.462(lit.)
인화점: 132 °C · 132 °C
저장 조건: 30 °C · Store below +30°C.
용해도: Completely miscible in water
산도 계수 (pKa): 13.75 · 13.75±0.20(Predicted)
물리적 상태: 점성 액체
색상: 무색투명~연황색
수소이온지수(pH): 6.5 · 6.5-7.5 (1000g/l, H2O, 20℃)
수용성: 163.2 g/L · 163.2g/L at 25℃
BRN: 1701144 · 1701144
InChI: 1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2
InChIKey: PAKCOSURAUIXFG-UHFFFAOYSA-N
SMILES: OCC(O)COCC=C
LogP: 0.29 at · 0.29 at 23℃
EPA: 1 · Glycerol 1-allylether (123-34-2)

화학적 성질

clear colorless to light yellow viscous liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 100 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 1,2-Propanediol, 3-(2-propenyloxy)-

1,2-Propanediol, 3-(2-propen-1-yloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Propanediol, 3-(2-propen-1-yloxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22603

1,2-Propanediol, 3-(2-propenyloxy)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Irrit. 2 (100%)

독성 정보

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org